CID 42608874

4-(1-methylcyclopropyl)butanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CC1)CCCC(=O)O
InChI
InChI=1S/C8H14O2/c1-8(5-6-8)4-2-3-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey
UWANZNIJWFYBDY-UHFFFAOYSA-N
Compound name
4-(1-methylcyclopropyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

142.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.3
[M+Na]+ 165.08860 140.0
[M-H]- 141.09210 134.8
[M+NH4]+ 160.13320 149.3
[M+K]+ 181.06254 138.7
[M+H-H2O]+ 125.09664 127.1
[M+HCOO]- 187.09758 152.7
[M+CH3COO]- 201.11323 176.1
[M+Na-2H]- 163.07405 137.4
[M]+ 142.09883 134.7
[M]- 142.09993 134.7
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