CID 106165

67924-14-5

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCCCCCCCCCC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20(22)23-2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKey
SQTIJQJOTPMGND-UHFFFAOYSA-N
Compound name
methyl 2-(dodecylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 182.6
[M+Na]+ 340.22469 186.1
[M-H]- 316.22819 185.9
[M+NH4]+ 335.26929 197.6
[M+K]+ 356.19863 182.7
[M+H-H2O]+ 300.23273 174.2
[M+HCOO]- 362.23367 205.8
[M+CH3COO]- 376.24932 214.9
[M+Na-2H]- 338.21014 183.6
[M]+ 317.23492 188.7
[M]- 317.23602 188.7
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.