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]+ 227.11789 150.3
[M+Na]+ 249.09983 157.5
[M-H]- 225.10333 158.2
[M+NH4]+ 244.14443 168.2
[M+K]+ 265.07377 154.5
[M+H-H2O]+ 209.10787 142.4
[M+HCOO]- 271.10881 177.0
[M+CH3COO]- 285.12446 198.1
[M+Na-2H]- 247.08528 155.9
[M]+ 226.11006 149.7
[M]- 226.11116 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.