CID 354919

Nsc607636

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)NN=O
InChI
InChI=1S/C9H7N3O/c13-12-11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11,13)
InChIKey
UDLXXZHRCDDNIA-UHFFFAOYSA-N
Compound name
N-quinolin-2-ylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05891 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 130.6
[M+Na]+ 196.04813 139.4
[M-H]- 172.05163 135.5
[M+NH4]+ 191.09273 150.7
[M+K]+ 212.02207 137.2
[M+H-H2O]+ 156.05617 123.1
[M+HCOO]- 218.05711 157.9
[M+CH3COO]- 232.07276 186.0
[M+Na-2H]- 194.03358 143.0
[M]+ 173.05836 131.4
[M]- 173.05946 131.4
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.