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

15
Patents

210.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.8
[M+Na]+ 233.053278 148.2
[M-H]- 209.056784 147.1
[M+NH4]+ 228.097883 160.0
[M+K]+ 249.027218 144.8
[M+H-H2O]+ 193.061320 139.8
[M+HCOO]- 255.062261 168.7
[M+CH3COO]- 269.077911 184.5
[M+Na-2H]- 231.038726 148.6
[M]+ 210.06351142 142.7
[M]- 210.06460858 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