CID 14545624

3-(2,2-dimethylcyclopropyl)propanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CC1CCC(=O)O)C
InChI
InChI=1S/C8H14O2/c1-8(2)5-6(8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
JPXNJPGDQKWXFP-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylcyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 130.0
[M+Na]+ 165.08860 139.6
[M-H]- 141.09210 133.9
[M+NH4]+ 160.13320 148.4
[M+K]+ 181.06254 138.2
[M+H-H2O]+ 125.09664 126.2
[M+HCOO]- 187.09758 151.4
[M+CH3COO]- 201.11323 177.2
[M+Na-2H]- 163.07405 135.6
[M]+ 142.09883 133.8
[M]- 142.09993 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe