CID 5372353

Cis-3-hexenyl anthranilate

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC/C=C\CCOC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-
InChIKey
VZWCCPAVZNSCEO-ARJAWSKDSA-N
Compound name
[(Z)-hex-3-enyl] 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

229
Patents

219.12593 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.4
[M+Na]+ 242.11515 157.6
[M-H]- 218.11865 154.2
[M+NH4]+ 237.15975 169.4
[M+K]+ 258.08909 154.6
[M+H-H2O]+ 202.12319 144.8
[M+HCOO]- 264.12413 174.9
[M+CH3COO]- 278.13978 190.5
[M+Na-2H]- 240.10060 154.7
[M]+ 219.12538 152.0
[M]- 219.12648 152.0
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