CID 130067357

1824608-59-4

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC(=O)C1=CC2=C(NCCC2)N=C1
InChI
InChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)12-6-8/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
LIWLRLRHBZIXGA-UHFFFAOYSA-N
Compound name
methyl 5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.1
[M+Na]+ 215.079088 147.9
[M-H]- 191.082594 141.0
[M+NH4]+ 210.123693 158.0
[M+K]+ 231.053028 145.1
[M+H-H2O]+ 175.087130 133.6
[M+HCOO]- 237.088071 157.8
[M+CH3COO]- 251.103721 179.8
[M+Na-2H]- 213.064536 147.7
[M]+ 192.08932142 138.2
[M]- 192.09041858 138.2
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