CID 90238624

4-(6-chloropyridin-2-yl)butanoic acid

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1=CC(=NC(=C1)Cl)CCCC(=O)O
InChI
InChI=1S/C9H10ClNO2/c10-8-5-1-3-7(11-8)4-2-6-9(12)13/h1,3,5H,2,4,6H2,(H,12,13)
InChIKey
SUFPCLKXHDZUKD-UHFFFAOYSA-N
Compound name
4-(6-chloro-2-pyridinyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

199.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 138.9
[M+Na]+ 222.029228 147.6
[M-H]- 198.032734 139.8
[M+NH4]+ 217.073833 157.1
[M+K]+ 238.003168 143.6
[M+H-H2O]+ 182.037270 133.4
[M+HCOO]- 244.038211 155.8
[M+CH3COO]- 258.053861 180.3
[M+Na-2H]- 220.014676 144.4
[M]+ 199.03946142 141.3
[M]- 199.04055858 141.3
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