CID 115011219

3-hydroxy-1-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CC1(CC(C1)O)C(=O)O
InChI
InChI=1S/C6H10O3/c1-6(5(8)9)2-4(7)3-6/h4,7H,2-3H2,1H3,(H,8,9)
InChIKey
AYTGJXQAIOPLNQ-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

130.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 126.2
[M+Na]+ 153.052208 132.4
[M-H]- 129.055714 127.6
[M+NH4]+ 148.096813 142.3
[M+K]+ 169.026148 134.6
[M+H-H2O]+ 113.060250 118.2
[M+HCOO]- 175.061191 145.0
[M+CH3COO]- 189.076841 170.3
[M+Na-2H]- 151.037656 131.0
[M]+ 130.06244142 133.1
[M]- 130.06353858 133.1
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