CID 25417

N-methyl-4-nitrosoaniline

Structural Information

Molecular Formula
C7H8N2O
SMILES
CNC1=CC=C(C=C1)N=O
InChI
InChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3
InChIKey
ZPHCTSKOFFWBHL-UHFFFAOYSA-N
Compound name
N-methyl-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

91
Patents

136.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.3
[M+Na]+ 159.05288 137.7
[M+NH4]+ 154.09748 134.4
[M+K]+ 175.02682 131.2
[M-H]- 135.05638 129.2
[M+Na-2H]- 157.03833 133.9
[M]+ 136.06311 128.0
[M]- 136.06421 128.0
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