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
3
Annotation Hits

0
References

2
Patents

317.23547 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 182.6
[M+Na]+ 340.224688 186.1
[M-H]- 316.228194 185.9
[M+NH4]+ 335.269293 197.6
[M+K]+ 356.198628 182.7
[M+H-H2O]+ 300.232730 174.2
[M+HCOO]- 362.233671 205.8
[M+CH3COO]- 376.249321 214.9
[M+Na-2H]- 338.210136 183.6
[M]+ 317.23492142 188.7
[M]- 317.23601858 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

patents stripe