CID 76225826

1824546-32-8

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]+ 143.10666 130.0
[M+Na]+ 165.08860 138.9
[M-H]- 141.09210 133.5
[M+NH4]+ 160.13320 146.4
[M+K]+ 181.06254 136.5
[M+H-H2O]+ 125.09664 124.7
[M+HCOO]- 187.09758 151.7
[M+CH3COO]- 201.11323 177.6
[M+Na-2H]- 163.07405 134.4
[M]+ 142.09883 133.3
[M]- 142.09993 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.