CID 83635449

Cis-3-isobutylcyclobutane carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)CC1CC(C1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-6(2)3-7-4-8(5-7)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKey
VNNTXZNXYHHQGY-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.4
[M+Na]+ 179.10426 140.8
[M-H]- 155.10776 138.4
[M+NH4]+ 174.14886 150.2
[M+K]+ 195.07820 143.2
[M+H-H2O]+ 139.11230 126.5
[M+HCOO]- 201.11324 154.6
[M+CH3COO]- 215.12889 180.9
[M+Na-2H]- 177.08971 137.8
[M]+ 156.11449 143.8
[M]- 156.11559 143.8
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