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]+ 157.122316 138.4
[M+Na]+ 179.104258 141.6
[M-H]- 155.107764 140.0
[M+NH4]+ 174.148863 151.8
[M+K]+ 195.078198 144.4
[M+H-H2O]+ 139.112300 128.1
[M+HCOO]- 201.113241 155.6
[M+CH3COO]- 215.128891 180.7
[M+Na-2H]- 177.089706 139.0
[M]+ 156.11449142 144.7
[M]- 156.11558858 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.