CID 177847626

(4'-methyl-[1,1'-biphenyl]-2-yl)(nitroso)methanamine

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C(N)N=O
InChI
InChI=1S/C14H14N2O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16-17/h2-9,14H,15H2,1H3
InChIKey
JAOCSJNQOIIXCY-UHFFFAOYSA-N
Compound name
[2-(4-methylphenyl)phenyl]-nitrosomethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.3
[M+Na]+ 249.099828 157.5
[M-H]- 225.103334 158.2
[M+NH4]+ 244.144433 168.2
[M+K]+ 265.073768 154.5
[M+H-H2O]+ 209.107870 142.4
[M+HCOO]- 271.108811 177.0
[M+CH3COO]- 285.124461 198.1
[M+Na-2H]- 247.085276 155.9
[M]+ 226.11006142 149.7
[M]- 226.11115858 149.7
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.