CID 55303305

3-cyclopropyl-3-methylbutanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(CC(=O)O)C1CC1
InChI
InChI=1S/C8H14O2/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
BYKZSXIJPNCMRD-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.0
[M+Na]+ 165.088598 138.4
[M-H]- 141.092104 133.5
[M+NH4]+ 160.133203 146.2
[M+K]+ 181.062538 136.6
[M+H-H2O]+ 125.096640 125.2
[M+HCOO]- 187.097581 150.3
[M+CH3COO]- 201.113231 176.8
[M+Na-2H]- 163.074046 135.8
[M]+ 142.09883142 132.5
[M]- 142.09992858 132.5
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