CID 235307

Dimethyl 4-methyl-1,3-phenylenedicarbamate

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)
InChIKey
CNPWIVIIZHULCN-UHFFFAOYSA-N
Compound name
methyl N-[3-(methoxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

183
Patents

238.09535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.7
[M+Na]+ 261.084568 158.4
[M-H]- 237.088074 155.8
[M+NH4]+ 256.129173 169.0
[M+K]+ 277.058508 158.0
[M+H-H2O]+ 221.092610 144.8
[M+HCOO]- 283.093551 176.9
[M+CH3COO]- 297.109201 195.3
[M+Na-2H]- 259.070016 155.5
[M]+ 238.09480142 154.3
[M]- 238.09589858 154.3
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