CID 83682088

2-cyclobutyl-3-methylbutanoic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)C(C1CCC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-6(2)8(9(10)11)7-4-3-5-7/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKey
DSXGPENUYCWXMH-UHFFFAOYSA-N
Compound name
2-cyclobutyl-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.4
[M+Na]+ 179.10426 141.6
[M-H]- 155.10776 140.0
[M+NH4]+ 174.14886 151.8
[M+K]+ 195.07820 144.4
[M+H-H2O]+ 139.11230 128.1
[M+HCOO]- 201.11324 155.6
[M+CH3COO]- 215.12889 180.7
[M+Na-2H]- 177.08971 139.0
[M]+ 156.11449 144.7
[M]- 156.11559 144.7
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.