CID 57515871

1089709-03-4

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)C(=O)OC1CC(C1)O
InChI
InChI=1S/C9H16O3/c1-9(2,3)8(11)12-7-4-6(10)5-7/h6-7,10H,4-5H2,1-3H3
InChIKey
AOWHHZSWFRKEHL-UHFFFAOYSA-N
Compound name
(3-hydroxycyclobutyl) 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

172.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.7
[M+Na]+ 195.099158 142.8
[M-H]- 171.102664 140.0
[M+NH4]+ 190.143763 151.2
[M+K]+ 211.073098 145.7
[M+H-H2O]+ 155.107200 128.4
[M+HCOO]- 217.108141 155.7
[M+CH3COO]- 231.123791 181.1
[M+Na-2H]- 193.084606 141.2
[M]+ 172.10939142 146.6
[M]- 172.11048858 146.6
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