CID 55299793

2-cyclobutyl-2-hydroxyacetic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
C1CC(C1)C(C(=O)O)O
InChI
InChI=1S/C6H10O3/c7-5(6(8)9)4-2-1-3-4/h4-5,7H,1-3H2,(H,8,9)
InChIKey
WDUASXFZWNGNDP-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

130.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 126.7
[M+Na]+ 153.052208 130.8
[M-H]- 129.055714 127.4
[M+NH4]+ 148.096813 140.4
[M+K]+ 169.026148 133.5
[M+H-H2O]+ 113.060250 116.8
[M+HCOO]- 175.061191 144.6
[M+CH3COO]- 189.076841 170.5
[M+Na-2H]- 151.037656 129.7
[M]+ 130.06244142 132.2
[M]- 130.06353858 132.2
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