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 153.6
[M+Na]+ 254.11515 160.2
[M-H]- 230.11865 158.2
[M+NH4]+ 249.15975 172.2
[M+K]+ 270.08909 157.6
[M+H-H2O]+ 214.12319 146.6
[M+HCOO]- 276.12413 179.2
[M+CH3COO]- 290.13978 195.3
[M+Na-2H]- 252.10060 158.0
[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.