CID 89694857

1447944-32-2

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C)(C1(CC1)C(=O)O)OC
InChI
InChI=1S/C8H14O3/c1-7(2,11-3)8(4-5-8)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
NURQAGMTNGGIJC-UHFFFAOYSA-N
Compound name
1-(2-methoxypropan-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.1
[M+Na]+ 181.08352 143.1
[M-H]- 157.08702 137.8
[M+NH4]+ 176.12812 151.6
[M+K]+ 197.05746 142.5
[M+H-H2O]+ 141.09156 130.6
[M+HCOO]- 203.09250 154.1
[M+CH3COO]- 217.10815 178.3
[M+Na-2H]- 179.06897 141.0
[M]+ 158.09375 138.6
[M]- 158.09485 138.6
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