CID 50199

N-nitroso-n-methylphenylcarbamate

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CN(C(=O)OC1=CC=CC=C1)N=O
InChI
InChI=1S/C8H8N2O3/c1-10(9-12)8(11)13-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
LTJREOVCWCRZIZ-UHFFFAOYSA-N
Compound name
phenyl N-methyl-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 135.9
[M+Na]+ 203.04272 146.6
[M+NH4]+ 198.08732 143.5
[M+K]+ 219.01666 142.0
[M-H]- 179.04622 138.4
[M+Na-2H]- 201.02817 143.1
[M]+ 180.05295 137.8
[M]- 180.05405 137.8
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.