CID 20517130

3-cyclobutyl-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(CC1CCC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
MWJVRKDEBVFQLK-UHFFFAOYSA-N
Compound name
3-cyclobutyl-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

156.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.4
[M+Na]+ 179.10426 139.6
[M-H]- 155.10776 137.3
[M+NH4]+ 174.14886 149.1
[M+K]+ 195.07820 141.9
[M+H-H2O]+ 139.11230 125.9
[M+HCOO]- 201.11324 153.1
[M+CH3COO]- 215.12889 179.3
[M+Na-2H]- 177.08971 139.5
[M]+ 156.11449 142.6
[M]- 156.11559 142.6
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