CID 71758672

6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCC1=C(C=CC(=N1)CN)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-2-8-7(9(12)13)4-3-6(5-10)11-8/h3-4H,2,5,10H2,1H3,(H,12,13)
InChIKey
SPUPWQYZTVAFBQ-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.5
[M+Na]+ 203.07909 146.5
[M-H]- 179.08259 139.5
[M+NH4]+ 198.12369 156.3
[M+K]+ 219.05303 144.1
[M+H-H2O]+ 163.08713 132.1
[M+HCOO]- 225.08807 160.4
[M+CH3COO]- 239.10372 182.0
[M+Na-2H]- 201.06454 142.9
[M]+ 180.08932 137.6
[M]- 180.09042 137.6
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

No patent data available for this compound.