CID 22062950

658712-81-3

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CC2=C(NC1)N=C(C=C2)CCC(=O)O
InChI
InChI=1S/C11H14N2O2/c14-10(15)6-5-9-4-3-8-2-1-7-12-11(8)13-9/h3-4H,1-2,5-7H2,(H,12,13)(H,14,15)
InChIKey
RFHWDIVYIDWUDL-UHFFFAOYSA-N
Compound name
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

206.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.9
[M+Na]+ 229.094748 151.8
[M-H]- 205.098254 144.1
[M+NH4]+ 224.139353 161.4
[M+K]+ 245.068688 147.8
[M+H-H2O]+ 189.102790 138.5
[M+HCOO]- 251.103731 160.7
[M+CH3COO]- 265.119381 181.0
[M+Na-2H]- 227.080196 151.4
[M]+ 206.10498142 141.6
[M]- 206.10607858 141.6
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