CID 260708

2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CC1(CC1C(=O)O)C
InChI
InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey
BFNMOMYTTGHNGJ-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1750
Patents

114.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.5
[M+Na]+ 137.05730 131.9
[M-H]- 113.06080 125.8
[M+NH4]+ 132.10190 140.9
[M+K]+ 153.03124 131.0
[M+H-H2O]+ 97.065340 118.0
[M+HCOO]- 159.06628 143.5
[M+CH3COO]- 173.08193 171.4
[M+Na-2H]- 135.04275 128.1
[M]+ 114.06753 124.6
[M]- 114.06863 124.6
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