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]+ 143.10666 130.0
[M+Na]+ 165.08860 138.4
[M-H]- 141.09210 133.5
[M+NH4]+ 160.13320 146.2
[M+K]+ 181.06254 136.6
[M+H-H2O]+ 125.09664 125.2
[M+HCOO]- 187.09758 150.3
[M+CH3COO]- 201.11323 176.8
[M+Na-2H]- 163.07405 135.8
[M]+ 142.09883 132.5
[M]- 142.09993 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