CID 135645583

Quinoxaline-2-carbaldehyde oxime

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC=C2C(=C1)N=CC(=N2)/C=N/O
InChI
InChI=1S/C9H7N3O/c13-11-6-7-5-10-8-3-1-2-4-9(8)12-7/h1-6,13H/b11-6+
InChIKey
HVEUVILQUUKSFP-IZZDOVSWSA-N
Compound name
(NE)-N-(quinoxalin-2-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.05891 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 133.0
[M+Na]+ 196.04813 142.4
[M-H]- 172.05163 135.2
[M+NH4]+ 191.09273 151.5
[M+K]+ 212.02207 139.1
[M+H-H2O]+ 156.05617 125.3
[M+HCOO]- 218.05711 156.4
[M+CH3COO]- 232.07276 146.5
[M+Na-2H]- 194.03358 144.5
[M]+ 173.05836 133.1
[M]- 173.05946 133.1
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