CID 101493

P-toluidine, n-methyl-n-nitroso-

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=CC=C(C=C1)N(C)N=O
InChI
InChI=1S/C8H10N2O/c1-7-3-5-8(6-4-7)10(2)9-11/h3-6H,1-2H3
InChIKey
NEIPHSHFJXGGOS-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methylphenyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

150.07932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 128.4
[M+Na]+ 173.06854 136.3
[M-H]- 149.07204 135.3
[M+NH4]+ 168.11314 150.5
[M+K]+ 189.04248 136.8
[M+H-H2O]+ 133.07658 121.9
[M+HCOO]- 195.07752 157.8
[M+CH3COO]- 209.09317 186.4
[M+Na-2H]- 171.05399 136.8
[M]+ 150.07877 130.7
[M]- 150.07987 130.7
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