CID 23461735

1-hydroxy-3,3-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CC(C1)(C(=O)O)O)C
InChI
InChI=1S/C7H12O3/c1-6(2)3-7(10,4-6)5(8)9/h10H,3-4H2,1-2H3,(H,8,9)
InChIKey
AYVWOXFLVDZWOH-UHFFFAOYSA-N
Compound name
1-hydroxy-3,3-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.5
[M+Na]+ 167.06786 138.2
[M-H]- 143.07136 133.2
[M+NH4]+ 162.11246 149.1
[M+K]+ 183.04180 140.2
[M+H-H2O]+ 127.07590 124.9
[M+HCOO]- 189.07684 150.0
[M+CH3COO]- 203.09249 173.1
[M+Na-2H]- 165.05331 137.0
[M]+ 144.07809 139.2
[M]- 144.07919 139.2
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