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]+ 262.14378 162.2
[M+Na]+ 284.12572 167.5
[M-H]- 260.12922 165.2
[M+NH4]+ 279.17032 178.6
[M+K]+ 300.09966 164.9
[M+H-H2O]+ 244.13376 155.1
[M+HCOO]- 306.13470 185.1
[M+CH3COO]- 320.15035 198.6
[M+Na-2H]- 282.11117 164.3
[M]+ 261.13595 164.6
[M]- 261.13705 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.