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]+ 159.101576 134.8
[M+Na]+ 181.083518 141.0
[M-H]- 157.087024 136.2
[M+NH4]+ 176.128123 150.1
[M+K]+ 197.057458 142.8
[M+H-H2O]+ 141.091560 126.7
[M+HCOO]- 203.092501 152.9
[M+CH3COO]- 217.108151 177.4
[M+Na-2H]- 179.068966 137.9
[M]+ 158.09375142 142.7
[M]- 158.09484858 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.