CID 20247203

1-(2-methylpropyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)CC1(CC1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-6(2)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
GOABMQWDEIMBRL-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.7
[M+Na]+ 165.08860 139.2
[M-H]- 141.09210 134.3
[M+NH4]+ 160.13320 148.6
[M+K]+ 181.06254 138.2
[M+H-H2O]+ 125.09664 126.6
[M+HCOO]- 187.09758 151.2
[M+CH3COO]- 201.11323 176.9
[M+Na-2H]- 163.07405 135.7
[M]+ 142.09883 133.5
[M]- 142.09993 133.5
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