CID 610793

Methyl n-methyl-n-(4-nitrophenyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

210.06406 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe