CID 81697196

2551120-36-4

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(CC1(C2=CN=CC=C2)O)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-9(13)7-4-10(14,5-7)8-2-1-3-11-6-8/h1-3,6-7,14H,4-5H2,(H,12,13)
InChIKey
ZUNVUCWJGXXNMS-UHFFFAOYSA-N
Compound name
3-hydroxy-3-pyridin-3-ylcyclobutane-1-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]+ 194.08118 141.0
[M+Na]+ 216.06312 147.1
[M-H]- 192.06662 143.9
[M+NH4]+ 211.10772 153.0
[M+K]+ 232.03706 147.8
[M+H-H2O]+ 176.07116 130.1
[M+HCOO]- 238.07210 159.0
[M+CH3COO]- 252.08775 180.3
[M+Na-2H]- 214.04857 146.3
[M]+ 193.07335 147.5
[M]- 193.07445 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.