CID 81656

4-nitrophenyl dimethylcarbamate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-10(2)9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,1-2H3
InChIKey
YBRIFDNEMBTBMJ-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

20
Patents

210.06406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.8
[M+Na]+ 233.05328 148.2
[M-H]- 209.05678 147.1
[M+NH4]+ 228.09788 160.0
[M+K]+ 249.02722 144.8
[M+H-H2O]+ 193.06132 139.8
[M+HCOO]- 255.06226 168.7
[M+CH3COO]- 269.07791 184.5
[M+Na-2H]- 231.03873 148.6
[M]+ 210.06351 142.7
[M]- 210.06461 142.7
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