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]+ 173.11722 137.7
[M+Na]+ 195.09916 142.8
[M-H]- 171.10266 140.0
[M+NH4]+ 190.14376 151.2
[M+K]+ 211.07310 145.7
[M+H-H2O]+ 155.10720 128.4
[M+HCOO]- 217.10814 155.7
[M+CH3COO]- 231.12379 181.1
[M+Na-2H]- 193.08461 141.2
[M]+ 172.10939 146.6
[M]- 172.11049 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