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

15
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 136.4
[M+Na]+ 179.104258 140.8
[M-H]- 155.107764 138.4
[M+NH4]+ 174.148863 150.2
[M+K]+ 195.078198 143.2
[M+H-H2O]+ 139.112300 126.5
[M+HCOO]- 201.113241 154.6
[M+CH3COO]- 215.128891 180.9
[M+Na-2H]- 177.089706 137.8
[M]+ 156.11449142 143.8
[M]- 156.11558858 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