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]+ 173.11722 138.7
[M+Na]+ 195.09916 145.1
[M-H]- 171.10266 141.5
[M+NH4]+ 190.14376 156.0
[M+K]+ 211.07310 147.6
[M+H-H2O]+ 155.10720 131.6
[M+HCOO]- 217.10814 158.1
[M+CH3COO]- 231.12379 180.8
[M+Na-2H]- 193.08461 143.8
[M]+ 172.10939 148.9
[M]- 172.11049 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.