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

42
Patents

178.07423 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.8
[M+Na]+ 201.06345 143.6
[M-H]- 177.06695 135.5
[M+NH4]+ 196.10805 153.6
[M+K]+ 217.03739 140.2
[M+H-H2O]+ 161.07149 129.9
[M+HCOO]- 223.07243 152.3
[M+CH3COO]- 237.08808 175.0
[M+Na-2H]- 199.04890 143.5
[M]+ 178.07368 131.9
[M]- 178.07478 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