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]+ 268.12920 160.7
[M+Na]+ 290.11114 166.4
[M-H]- 266.11464 167.0
[M+NH4]+ 285.15574 177.4
[M+K]+ 306.08508 168.4
[M+H-H2O]+ 250.11918 152.9
[M+HCOO]- 312.12012 186.9
[M+CH3COO]- 326.13577 209.8
[M+Na-2H]- 288.09659 161.8
[M]+ 267.12137 164.4
[M]- 267.12247 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.