CID 20836335

94333-66-1

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC/C=C\CCOC(=O)C1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C15H19NO3/c1-3-4-5-8-11-19-15(18)13-9-6-7-10-14(13)16-12(2)17/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17)/b5-4-
InChIKey
SSWSYYMGBHCUHC-PLNGDYQASA-N
Compound name
[(Z)-hex-3-enyl] 2-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 162.2
[M+Na]+ 284.125718 167.5
[M-H]- 260.129224 165.2
[M+NH4]+ 279.170323 178.6
[M+K]+ 300.099658 164.9
[M+H-H2O]+ 244.133760 155.1
[M+HCOO]- 306.134701 185.1
[M+CH3COO]- 320.150351 198.6
[M+Na-2H]- 282.111166 164.3
[M]+ 261.13595142 164.6
[M]- 261.13704858 164.6
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.