CID 106799

67800-80-0

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
2
Annotation Hits

0
References

26
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 182.2
[M+Na]+ 340.22469 192.1
[M+NH4]+ 335.26929 188.5
[M+K]+ 356.19863 184.1
[M-H]- 316.22819 184.1
[M+Na-2H]- 338.21014 186.3
[M]+ 317.23492 183.9
[M]- 317.23602 183.9
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