CID 57107758

2-(3-methylpyridin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(C=CN=C1)C(C)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-6-5-10-4-3-8(6)7(2)9(11)12/h3-5,7H,1-2H3,(H,11,12)
InChIKey
PCNKRMRFMVCPCP-UHFFFAOYSA-N
Compound name
2-(3-methylpyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.8
[M+Na]+ 188.06820 141.5
[M-H]- 164.07170 135.0
[M+NH4]+ 183.11280 152.5
[M+K]+ 204.04214 140.0
[M+H-H2O]+ 148.07624 127.7
[M+HCOO]- 210.07718 154.2
[M+CH3COO]- 224.09283 177.3
[M+Na-2H]- 186.05365 138.5
[M]+ 165.07843 133.6
[M]- 165.07953 133.6
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

patents stripe