CID 22062940

478055-40-2

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCCC(=O)O
InChI
InChI=1S/C13H18N2O2/c16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11/h7-8H,1-6,9H2,(H,14,15)(H,16,17)
InChIKey
BREOKHDXONYFEN-UHFFFAOYSA-N
Compound name
5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

234.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.8
[M+Na]+ 257.12605 159.9
[M-H]- 233.12955 152.7
[M+NH4]+ 252.17065 169.3
[M+K]+ 273.09999 155.4
[M+H-H2O]+ 217.13409 147.0
[M+HCOO]- 279.13503 169.0
[M+CH3COO]- 293.15068 187.0
[M+Na-2H]- 255.11150 159.4
[M]+ 234.13628 151.3
[M]- 234.13738 151.3
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