CID 2822841

65081-75-6

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=CC(=CC=C1)NC(=O)N
InChI
InChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKey
CANIDQGAPAHUJM-UHFFFAOYSA-N
Compound name
methyl 3-(carbamoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

194.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.1
[M+Na]+ 217.058358 146.7
[M-H]- 193.061864 143.6
[M+NH4]+ 212.102963 158.6
[M+K]+ 233.032298 145.8
[M+H-H2O]+ 177.066400 133.6
[M+HCOO]- 239.067341 165.2
[M+CH3COO]- 253.082991 186.6
[M+Na-2H]- 215.043806 144.6
[M]+ 194.06859142 139.3
[M]- 194.06968858 139.3
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