CID 122163687

1989671-53-5

Structural Information

Molecular Formula
C11H18O4
SMILES
CC1(CC1(C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H18O4/c1-9(2,3)15-8(14)11(7(12)13)6-10(11,4)5/h6H2,1-5H3,(H,12,13)
InChIKey
SBBWYOZYXPWSHZ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 146.2
[M+Na]+ 237.109728 155.6
[M-H]- 213.113234 150.2
[M+NH4]+ 232.154333 163.7
[M+K]+ 253.083668 155.6
[M+H-H2O]+ 197.117770 144.4
[M+HCOO]- 259.118711 164.3
[M+CH3COO]- 273.134361 188.5
[M+Na-2H]- 235.095176 151.5
[M]+ 214.11996142 152.8
[M]- 214.12105858 152.8
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

No patent data available for this compound.