CID 75537370

5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CNCC2=CN=CC(=C21)C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)8-5-11-4-6-3-10-2-1-7(6)8/h4-5,10H,1-3H2,(H,12,13)
InChIKey
ILVWQQUNXRVMHL-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

178.07423 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.8
[M+Na]+ 201.063448 143.6
[M-H]- 177.066954 135.5
[M+NH4]+ 196.108053 153.6
[M+K]+ 217.037388 140.2
[M+H-H2O]+ 161.071490 129.9
[M+HCOO]- 223.072431 152.3
[M+CH3COO]- 237.088081 175.0
[M+Na-2H]- 199.048896 143.5
[M]+ 178.07368142 131.9
[M]- 178.07477858 131.9
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