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

24
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.3
[M+Na]+ 215.079088 147.7
[M-H]- 191.082594 139.8
[M+NH4]+ 210.123693 157.5
[M+K]+ 231.053028 144.0
[M+H-H2O]+ 175.087130 134.2
[M+HCOO]- 237.088071 156.5
[M+CH3COO]- 251.103721 178.0
[M+Na-2H]- 213.064536 147.5
[M]+ 192.08932142 136.7
[M]- 192.09041858 136.7
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