CID 201467

6039-48-1

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC(=O)C1=CC=CC=C1OC(=O)N
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-4-2-3-5-7(6)14-9(10)12/h2-5H,1H3,(H2,10,12)
InChIKey
DAPZNUCWKJQPMG-UHFFFAOYSA-N
Compound name
methyl 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

195.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.7
[M+Na]+ 218.04238 150.0
[M+NH4]+ 213.08698 146.2
[M+K]+ 234.01632 146.3
[M-H]- 194.04588 140.3
[M+Na-2H]- 216.02783 144.7
[M]+ 195.05261 140.9
[M]- 195.05371 140.9
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