CID 122673353

Schembl18209634

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)O)NC(=O)OC
InChI
InChI=1S/C10H12N2O4/c1-6-3-4-7(11-9(13)14)5-8(6)12-10(15)16-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKey
OZCNVRNXLAMPQZ-UHFFFAOYSA-N
Compound name
[3-(methoxycarbonylamino)-4-methylphenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 147.3
[M+Na]+ 247.06893 153.9
[M-H]- 223.07243 150.1
[M+NH4]+ 242.11353 164.4
[M+K]+ 263.04287 152.9
[M+H-H2O]+ 207.07697 140.8
[M+HCOO]- 269.07791 171.3
[M+CH3COO]- 283.09356 190.6
[M+Na-2H]- 245.05438 151.1
[M]+ 224.07916 147.7
[M]- 224.08026 147.7
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

patents stripe