CID 57468212

2-(1-hydroxycyclobutyl)acetic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
C1CC(C1)(CC(=O)O)O
InChI
InChI=1S/C6H10O3/c7-5(8)4-6(9)2-1-3-6/h9H,1-4H2,(H,7,8)
InChIKey
FZDQAIXEDYVTEU-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

130.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 126.8
[M+Na]+ 153.05221 132.1
[M-H]- 129.05571 127.9
[M+NH4]+ 148.09681 142.6
[M+K]+ 169.02615 134.3
[M+H-H2O]+ 113.06025 118.5
[M+HCOO]- 175.06119 145.7
[M+CH3COO]- 189.07684 169.2
[M+Na-2H]- 151.03766 132.3
[M]+ 130.06244 133.3
[M]- 130.06354 133.3
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