CID 28924889

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

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(N=CC=C1)CCC(=O)O
InChI
InChI=1S/C9H11NO2/c1-7-3-2-6-10-8(7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
YZBPCDZFVUHWRN-UHFFFAOYSA-N
Compound name
3-(3-methyl-2-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.8
[M+Na]+ 188.068198 141.8
[M-H]- 164.071704 135.0
[M+NH4]+ 183.112803 152.6
[M+K]+ 204.042138 139.8
[M+H-H2O]+ 148.076240 127.7
[M+HCOO]- 210.077181 155.3
[M+CH3COO]- 224.092831 176.4
[M+Na-2H]- 186.053646 139.7
[M]+ 165.07843142 134.3
[M]- 165.07952858 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe