CID 22570252

445490-61-9

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CC2=C(NC1)N=C(C=C2)CC(=O)O
InChI
InChI=1S/C10H12N2O2/c13-9(14)6-8-4-3-7-2-1-5-11-10(7)12-8/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)
InChIKey
JBVUZBPRQFCHKU-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.7
[M+Na]+ 215.07909 153.2
[M+NH4]+ 210.12369 149.1
[M+K]+ 231.05303 147.8
[M-H]- 191.08259 141.7
[M+Na-2H]- 213.06454 146.2
[M]+ 192.08932 143.1
[M]- 192.09042 143.1
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

patents stripe