CID 11957

N-nitroso-n-methylaniline

Structural Information

Molecular Formula
C7H8N2O
SMILES
CN(C1=CC=CC=C1)N=O
InChI
InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
MAXCWSIJKVASQC-UHFFFAOYSA-N
Compound name
N-methyl-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

42
References

592
Patents

136.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 124.0
[M+Na]+ 159.05288 131.4
[M-H]- 135.05638 130.7
[M+NH4]+ 154.09748 146.4
[M+K]+ 175.02682 132.1
[M+H-H2O]+ 119.06092 117.4
[M+HCOO]- 181.06186 153.8
[M+CH3COO]- 195.07751 182.3
[M+Na-2H]- 157.03833 133.7
[M]+ 136.06311 125.6
[M]- 136.06421 125.6
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