CID 6436959

Einecs 265-383-0

Structural Information

Molecular Formula
C24H47NO2
SMILES
CCCCCC/C=C/CC/C=C/CCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h9-10,13-14,23-24,26-27H,4-8,11-12,15-22H2,1-3H3/b10-9+,14-13+
InChIKey
ILWGQRCFIKROEO-LBSPPQMYSA-N
Compound name
1-[2-hydroxypropyl-[(7E,11E)-octadeca-7,11-dienyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.3607 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.367976 209.9
[M+Na]+ 404.349918 208.3
[M-H]- 380.353424 205.5
[M+NH4]+ 399.394523 220.7
[M+K]+ 420.323858 203.7
[M+H-H2O]+ 364.357960 202.0
[M+HCOO]- 426.358901 225.1
[M+CH3COO]- 440.374551 226.6
[M+Na-2H]- 402.335366 203.3
[M]+ 381.36015142 214.5
[M]- 381.36124858 214.5
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.