CID 63678882

3-methyl-2-(pyridin-2-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)C(C1=CC=CC=N1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-7(2)9(10(12)13)8-5-3-4-6-11-8/h3-7,9H,1-2H3,(H,12,13)
InChIKey
QCKQRZFWJGJMRR-UHFFFAOYSA-N
Compound name
3-methyl-2-pyridin-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 139.0
[M+Na]+ 202.083858 145.1
[M-H]- 178.087364 139.8
[M+NH4]+ 197.128463 156.8
[M+K]+ 218.057798 143.8
[M+H-H2O]+ 162.091900 132.6
[M+HCOO]- 224.092841 158.2
[M+CH3COO]- 238.108491 180.1
[M+Na-2H]- 200.069306 142.6
[M]+ 179.09409142 138.3
[M]- 179.09518858 138.3
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