CID 106799

Benzoic acid, 2-[(2-methylundecylidene)amino]-, methyl ester

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCCCCCCCC(C)C=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C20H31NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-17H,4-10,13H2,1-3H3
InChIKey
JOJBHOQXBDBUST-UHFFFAOYSA-N
Compound name
methyl 2-(2-methylundecylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
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 183.2
[M+Na]+ 340.224688 186.5
[M-H]- 316.228194 186.6
[M+NH4]+ 335.269293 198.1
[M+K]+ 356.198628 183.5
[M+H-H2O]+ 300.232730 174.9
[M+HCOO]- 362.233671 205.4
[M+CH3COO]- 376.249321 215.7
[M+Na-2H]- 338.210136 183.0
[M]+ 317.23492142 188.6
[M]- 317.23601858 188.6
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