CID 44159

N-methyl-n-nitroso-(2-methylphenyl)methylamine

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=CC=CC=C1CN(C)N=O
InChI
InChI=1S/C9H12N2O/c1-8-5-3-4-6-9(8)7-11(2)10-12/h3-6H,7H2,1-2H3
InChIKey
RRXABZCVYQNCRE-UHFFFAOYSA-N
Compound name
N-methyl-N-[(2-methylphenyl)methyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.1
[M+Na]+ 187.08418 140.6
[M-H]- 163.08768 139.8
[M+NH4]+ 182.12878 154.7
[M+K]+ 203.05812 140.8
[M+H-H2O]+ 147.09222 126.4
[M+HCOO]- 209.09316 162.2
[M+CH3COO]- 223.10881 189.5
[M+Na-2H]- 185.06963 141.0
[M]+ 164.09441 135.8
[M]- 164.09551 135.8
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

No patent data available for this compound.