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

50
Patents

206.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.9
[M+Na]+ 229.09475 151.8
[M-H]- 205.09825 144.1
[M+NH4]+ 224.13935 161.4
[M+K]+ 245.06869 147.8
[M+H-H2O]+ 189.10279 138.5
[M+HCOO]- 251.10373 160.7
[M+CH3COO]- 265.11938 181.0
[M+Na-2H]- 227.08020 151.4
[M]+ 206.10498 141.6
[M]- 206.10608 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