CID 11935

Benzylphenylnitrosamine

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)N=O
InChI
InChI=1S/C13H12N2O/c16-14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
BCIBCBXFXGKGBL-UHFFFAOYSA-N
Compound name
N-benzyl-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

212.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 144.8
[M+Na]+ 235.08418 150.9
[M-H]- 211.08768 154.0
[M+NH4]+ 230.12878 163.6
[M+K]+ 251.05812 149.4
[M+H-H2O]+ 195.09222 136.3
[M+HCOO]- 257.09316 174.0
[M+CH3COO]- 271.10881 196.0
[M+Na-2H]- 233.06963 153.9
[M]+ 212.09441 145.9
[M]- 212.09551 145.9
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