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]+ 176.081826 134.7
[M+Na]+ 198.063768 144.6
[M-H]- 174.067274 135.3
[M+NH4]+ 193.108373 152.4
[M+K]+ 214.037708 140.0
[M+H-H2O]+ 158.071810 127.6
[M+HCOO]- 220.072751 155.9
[M+CH3COO]- 234.088401 147.5
[M+Na-2H]- 196.049216 143.8
[M]+ 175.07400142 132.5
[M]- 175.07509858 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.