CID 91666210

2253640-36-5

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC(=NC2=C1C=CC(=O)N2)CN
InChI
InChI=1S/C9H9N3O/c10-5-7-3-1-6-2-4-8(13)12-9(6)11-7/h1-4H,5,10H2,(H,11,12,13)
InChIKey
OSSIWNYNJZMNCB-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 134.7
[M+Na]+ 198.06377 144.6
[M-H]- 174.06727 135.3
[M+NH4]+ 193.10837 152.4
[M+K]+ 214.03771 140.0
[M+H-H2O]+ 158.07181 127.6
[M+HCOO]- 220.07275 155.9
[M+CH3COO]- 234.08840 147.5
[M+Na-2H]- 196.04922 143.8
[M]+ 175.07400 132.5
[M]- 175.07510 132.5
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.