CID 90238624

4-(6-chloropyridin-2-yl)butanoicacid

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-chloropyridin-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

199.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.9
[M+Na]+ 222.02923 147.6
[M-H]- 198.03273 139.8
[M+NH4]+ 217.07383 157.1
[M+K]+ 238.00317 143.6
[M+H-H2O]+ 182.03727 133.4
[M+HCOO]- 244.03821 155.8
[M+CH3COO]- 258.05386 180.3
[M+Na-2H]- 220.01468 144.4
[M]+ 199.03946 141.3
[M]- 199.04056 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