CID 20837972

Oleyl 4-(dimethylamino)benzoate

Structural Information

Molecular Formula
C27H45NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C27H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2)3/h11-12,20-23H,4-10,13-19,24H2,1-3H3/b12-11-
InChIKey
ASPXCBNJTYMHMF-QXMHVHEDSA-N
Compound name
[(Z)-octadec-9-enyl] 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

415.34503 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.352306 214.9
[M+Na]+ 438.334248 215.1
[M-H]- 414.337754 216.7
[M+NH4]+ 433.378853 225.6
[M+K]+ 454.308188 210.4
[M+H-H2O]+ 398.342290 205.2
[M+HCOO]- 460.343231 234.6
[M+CH3COO]- 474.358881 236.3
[M+Na-2H]- 436.319696 210.9
[M]+ 415.34448142 222.8
[M]- 415.34557858 222.8
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

patents stripe