CID 71695333

3-(5-methylpyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC(=CN=C1)CCC(=O)O
InChI
InChI=1S/C9H11NO2/c1-7-4-8(6-10-5-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKey
XGXXQNPWMCFKOV-UHFFFAOYSA-N
Compound name
3-(5-methylpyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.6
[M+Na]+ 188.06820 147.0
[M+NH4]+ 183.11280 142.1
[M+K]+ 204.04214 141.4
[M-H]- 164.07170 135.2
[M+Na-2H]- 186.05365 140.7
[M]+ 165.07843 136.4
[M]- 165.07953 136.4
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