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]+ 159.101576 134.1
[M+Na]+ 181.083518 143.1
[M-H]- 157.087024 137.8
[M+NH4]+ 176.128123 151.6
[M+K]+ 197.057458 142.5
[M+H-H2O]+ 141.091560 130.6
[M+HCOO]- 203.092501 154.1
[M+CH3COO]- 217.108151 178.3
[M+Na-2H]- 179.068966 141.0
[M]+ 158.09375142 138.6
[M]- 158.09484858 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