CID 6441718

Tert-dodecylamine-amic salt of octadecenylsuccinic anhydride

Structural Information

Molecular Formula
C34H65NO3
SMILES
CCCCCCCCCCCCCCC(C/C=C/C(CC=O)C(=O)O)NC(C)(C)CCCCCCCCC
InChI
InChI=1S/C34H65NO3/c1-5-7-9-11-13-14-15-16-17-18-20-22-26-32(27-24-25-31(28-30-36)33(37)38)35-34(3,4)29-23-21-19-12-10-8-6-2/h24-25,30-32,35H,5-23,26-29H2,1-4H3,(H,37,38)/b25-24+
InChIKey
DMJPVDGRMWOEMQ-OCOZRVBESA-N
Compound name
(E)-6-(2-methylundecan-2-ylamino)-2-(2-oxoethyl)icos-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.49646 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.50374 244.9
[M+Na]+ 558.48568 252.0
[M-H]- 534.48918 235.5
[M+NH4]+ 553.53028 246.2
[M+K]+ 574.45962 253.1
[M+H-H2O]+ 518.49372 242.2
[M+HCOO]- 580.49466 246.9
[M+CH3COO]- 594.51031 257.5
[M+Na-2H]- 556.47113 230.5
[M]+ 535.49591 243.3
[M]- 535.49701 243.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.