CID 83528806

1-ethyl-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CC(C1)C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-3-8(7(9)10)4-6(2)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
DSPDLZIOMLDCHP-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.0
[M+Na]+ 165.08860 137.1
[M-H]- 141.09210 133.7
[M+NH4]+ 160.13320 147.6
[M+K]+ 181.06254 139.2
[M+H-H2O]+ 125.09664 122.9
[M+HCOO]- 187.09758 150.6
[M+CH3COO]- 201.11323 176.7
[M+Na-2H]- 163.07405 135.5
[M]+ 142.09883 139.1
[M]- 142.09993 139.1
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