CID 83529014

1-ethyl-3,3-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1(CC(C1)(C)C)C(=O)O
InChI
InChI=1S/C9H16O2/c1-4-9(7(10)11)5-8(2,3)6-9/h4-6H2,1-3H3,(H,10,11)
InChIKey
PCYKMTQFNPIEES-UHFFFAOYSA-N
Compound name
1-ethyl-3,3-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.9
[M+Na]+ 179.10426 142.5
[M-H]- 155.10776 138.8
[M+NH4]+ 174.14886 153.9
[M+K]+ 195.07820 144.4
[M+H-H2O]+ 139.11230 129.1
[M+HCOO]- 201.11324 155.2
[M+CH3COO]- 215.12889 179.4
[M+Na-2H]- 177.08971 141.0
[M]+ 156.11449 144.8
[M]- 156.11559 144.8
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

No patent data available for this compound.