CID 76225826

4-(2-methylcyclopropyl)butanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CC1CCCC(=O)O
InChI
InChI=1S/C8H14O2/c1-6-5-7(6)3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
HTMQXVHTLFEVDB-UHFFFAOYSA-N
Compound name
4-(2-methylcyclopropyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.9
[M-H]- 141.092104 133.5
[M+NH4]+ 160.133203 146.4
[M+K]+ 181.062538 136.5
[M+H-H2O]+ 125.096640 124.7
[M+HCOO]- 187.097581 151.7
[M+CH3COO]- 201.113231 177.6
[M+Na-2H]- 163.074046 134.4
[M]+ 142.09883142 133.3
[M]- 142.09992858 133.3
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.