CID 178200042

5-(1-hydroxycyclobutyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CC(C1)(C2=CN=CC(=C2)C(=O)O)O
InChI
InChI=1S/C10H11NO3/c12-9(13)7-4-8(6-11-5-7)10(14)2-1-3-10/h4-6,14H,1-3H2,(H,12,13)
InChIKey
NGCQLOYPEPAIHJ-UHFFFAOYSA-N
Compound name
5-(1-hydroxycyclobutyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 141.0
[M+Na]+ 216.063118 147.1
[M-H]- 192.066624 143.9
[M+NH4]+ 211.107723 153.0
[M+K]+ 232.037058 147.8
[M+H-H2O]+ 176.071160 130.1
[M+HCOO]- 238.072101 159.0
[M+CH3COO]- 252.087751 180.3
[M+Na-2H]- 214.048566 146.3
[M]+ 193.07335142 147.5
[M]- 193.07444858 147.5
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

No patent data available for this compound.