CID 62388317

2-methyl-2-(propan-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)C1(CC1C(=O)O)C
InChI
InChI=1S/C8H14O2/c1-5(2)8(3)4-6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKey
KUYXBNIFEDSVEP-UHFFFAOYSA-N
Compound name
2-methyl-2-propan-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 129.2
[M+Na]+ 165.088598 138.6
[M-H]- 141.092104 133.2
[M+NH4]+ 160.133203 147.5
[M+K]+ 181.062538 137.6
[M+H-H2O]+ 125.096640 125.5
[M+HCOO]- 187.097581 149.7
[M+CH3COO]- 201.113231 178.0
[M+Na-2H]- 163.074046 133.7
[M]+ 142.09883142 132.4
[M]- 142.09992858 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