CID 79747

5663-71-8

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC(=O)OC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12)
InChIKey
KGHXFBVYXDFJGG-UHFFFAOYSA-N
Compound name
(2-carbamoylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

289
Patents

179.05824 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 135.8
[M+Na]+ 202.047458 143.3
[M-H]- 178.050964 139.3
[M+NH4]+ 197.092063 155.2
[M+K]+ 218.021398 142.3
[M+H-H2O]+ 162.055500 129.8
[M+HCOO]- 224.056441 159.8
[M+CH3COO]- 238.072091 182.1
[M+Na-2H]- 200.032906 140.0
[M]+ 179.05769142 135.8
[M]- 179.05878858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe