CID 110091

9-octadecenoic acid (9z)-, ester with 2,2'-(methylimino)bis[ethanol]

Structural Information

Molecular Formula
C23H42N2O3
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCN=C=NCCO
InChI
InChI=1S/C23H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)28-21-19-25-22-24-18-20-26/h9-10,26H,2-8,11-21H2,1H3
InChIKey
GWOBASASKZKSFL-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyliminomethylideneamino)ethyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.31955 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.32683 205.7
[M+Na]+ 417.30877 205.6
[M-H]- 393.31227 204.3
[M+NH4]+ 412.35337 224.8
[M+K]+ 433.28271 201.4
[M+H-H2O]+ 377.31681 196.8
[M+HCOO]- 439.31775 236.0
[M+CH3COO]- 453.33340 231.2
[M+Na-2H]- 415.29422 203.9
[M]+ 394.31900 214.3
[M]- 394.32010 214.3
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.