CID 152115

2,2,3,3-tetramethylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C(C1(C)C)C(=O)O)C
InChI
InChI=1S/C8H14O2/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H,9,10)
InChIKey
SFHVXKNMCGSLAR-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1995
Patents

142.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 127.7
[M+Na]+ 165.08860 138.8
[M-H]- 141.09210 132.3
[M+NH4]+ 160.13320 148.2
[M+K]+ 181.06254 138.3
[M+H-H2O]+ 125.09664 125.6
[M+HCOO]- 187.09758 148.6
[M+CH3COO]- 201.11323 178.1
[M+Na-2H]- 163.07405 133.9
[M]+ 142.09883 132.4
[M]- 142.09993 132.4
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