CID 44944

Dimethylcarbamic acid 4-amino-o-phenylene ester

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CN(C)C(=O)OC1=C(C=C(C=C1)N)OC(=O)N(C)C
InChI
InChI=1S/C12H17N3O4/c1-14(2)11(16)18-9-6-5-8(13)7-10(9)19-12(17)15(3)4/h5-7H,13H2,1-4H3
InChIKey
PGJQQVXPPNJHHF-UHFFFAOYSA-N
Compound name
[4-amino-2-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 160.7
[M+Na]+ 290.111138 166.4
[M-H]- 266.114644 167.0
[M+NH4]+ 285.155743 177.4
[M+K]+ 306.085078 168.4
[M+H-H2O]+ 250.119180 152.9
[M+HCOO]- 312.120121 186.9
[M+CH3COO]- 326.135771 209.8
[M+Na-2H]- 288.096586 161.8
[M]+ 267.12137142 164.4
[M]- 267.12246858 164.4
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

No patent data available for this compound.