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]+ 157.122316 135.9
[M+Na]+ 179.104258 142.5
[M-H]- 155.107764 138.8
[M+NH4]+ 174.148863 153.9
[M+K]+ 195.078198 144.4
[M+H-H2O]+ 139.112300 129.1
[M+HCOO]- 201.113241 155.2
[M+CH3COO]- 215.128891 179.4
[M+Na-2H]- 177.089706 141.0
[M]+ 156.11449142 144.8
[M]- 156.11558858 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.