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

10
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

literature stripe

Patent stripe

patents stripe