CID 2760270

4-oxo-4-(pyridin-4-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CN=CC=C1C(=O)CCC(=O)O
InChI
InChI=1S/C9H9NO3/c11-8(1-2-9(12)13)7-3-5-10-6-4-7/h3-6H,1-2H2,(H,12,13)
InChIKey
QHBYZGQLPMSIFR-UHFFFAOYSA-N
Compound name
4-oxo-4-pyridin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.1
[M+Na]+ 202.04746 143.1
[M-H]- 178.05096 137.0
[M+NH4]+ 197.09206 153.7
[M+K]+ 218.02140 141.4
[M+H-H2O]+ 162.05550 129.6
[M+HCOO]- 224.05644 157.0
[M+CH3COO]- 238.07209 177.3
[M+Na-2H]- 200.03291 141.5
[M]+ 179.05769 136.3
[M]- 179.05879 136.3
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