CID 6103525

Faop

Structural Information

Molecular Formula
C13H13N2O
SMILES
C1=CC=C(C=C1)/C(=N\O)/C[N+]2=CC=CC=C2
InChI
InChI=1S/C13H12N2O/c16-14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1-10H,11H2/p+1/b14-13-
InChIKey
HPXLZTMUZHIHOW-YPKPFQOOSA-O
Compound name
(NE)-N-(1-phenyl-2-pyridin-1-ium-1-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

213.10278 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11006 148.2
[M+Na]+ 236.09200 154.2
[M-H]- 212.09550 153.5
[M+NH4]+ 231.13660 164.3
[M+K]+ 252.06594 145.2
[M+H-H2O]+ 196.10004 142.5
[M+HCOO]- 258.10098 171.7
[M+CH3COO]- 272.11663 181.1
[M+Na-2H]- 234.07745 158.2
[M]+ 213.10223 145.5
[M]- 213.10333 145.5
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.