CID 12651947

2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(C(CC1O)CC(=O)O)C
InChI
InChI=1S/C8H14O3/c1-8(2)5(3-6(8)9)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKey
XDFSYWTZDRKXKZ-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.8
[M+Na]+ 181.08352 141.0
[M-H]- 157.08702 136.2
[M+NH4]+ 176.12812 150.1
[M+K]+ 197.05746 142.8
[M+H-H2O]+ 141.09156 126.7
[M+HCOO]- 203.09250 152.9
[M+CH3COO]- 217.10815 177.4
[M+Na-2H]- 179.06897 137.9
[M]+ 158.09375 142.7
[M]- 158.09485 142.7
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

No patent data available for this compound.