CID 131115341

Ethyl 1-hydroxy-3,3-dimethylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOC(=O)C1(CC(C1)(C)C)O
InChI
InChI=1S/C9H16O3/c1-4-12-7(10)9(11)5-8(2,3)6-9/h11H,4-6H2,1-3H3
InChIKey
YZRWIELXIQIRBP-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxy-3,3-dimethylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.7
[M+Na]+ 195.099158 145.1
[M-H]- 171.102664 141.5
[M+NH4]+ 190.143763 156.0
[M+K]+ 211.073098 147.6
[M+H-H2O]+ 155.107200 131.6
[M+HCOO]- 217.108141 158.1
[M+CH3COO]- 231.123791 180.8
[M+Na-2H]- 193.084606 143.8
[M]+ 172.10939142 148.9
[M]- 172.11048858 148.9
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.