CID 11287876

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

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C=CC(=N1)CN)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-5-7(8(11)12)3-2-6(4-9)10-5/h2-3H,4,9H2,1H3,(H,11,12)
InChIKey
ZYZTXOQKEXQBKJ-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

166.07423 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.0
[M+Na]+ 189.06345 142.4
[M-H]- 165.06695 135.1
[M+NH4]+ 184.10805 152.3
[M+K]+ 205.03739 140.2
[M+H-H2O]+ 149.07149 127.8
[M+HCOO]- 211.07243 156.1
[M+CH3COO]- 225.08808 178.9
[M+Na-2H]- 187.04890 138.8
[M]+ 166.07368 132.7
[M]- 166.07478 132.7
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