CID 110469

Benzoic acid, 2-(2-hexenylideneamino)-, methyl ester

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCCC=CC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C14H17NO2/c1-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17-2/h5-11H,3-4H2,1-2H3
InChIKey
IGAVEPCBGZDTJY-UHFFFAOYSA-N
Compound name
methyl 2-(hex-2-enylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 154.8
[M+Na]+ 254.11515 166.3
[M+NH4]+ 249.15975 162.0
[M+K]+ 270.08909 158.9
[M-H]- 230.11865 156.9
[M+Na-2H]- 252.10060 160.7
[M]+ 231.12538 156.8
[M]- 231.12648 156.8
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.