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

41
Patents

130.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 126.7
[M+Na]+ 153.05221 130.8
[M-H]- 129.05571 127.4
[M+NH4]+ 148.09681 140.4
[M+K]+ 169.02615 133.5
[M+H-H2O]+ 113.06025 116.8
[M+HCOO]- 175.06119 144.6
[M+CH3COO]- 189.07684 170.5
[M+Na-2H]- 151.03766 129.7
[M]+ 130.06244 132.2
[M]- 130.06354 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