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

207
Patents

219.12593 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 151.4
[M+Na]+ 242.115148 157.6
[M-H]- 218.118654 154.2
[M+NH4]+ 237.159753 169.4
[M+K]+ 258.089088 154.6
[M+H-H2O]+ 202.123190 144.8
[M+HCOO]- 264.124131 174.9
[M+CH3COO]- 278.139781 190.5
[M+Na-2H]- 240.100596 154.7
[M]+ 219.12538142 152.0
[M]- 219.12647858 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