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]+ 215.12779 146.2
[M+Na]+ 237.10973 155.6
[M-H]- 213.11323 150.2
[M+NH4]+ 232.15433 163.7
[M+K]+ 253.08367 155.6
[M+H-H2O]+ 197.11777 144.4
[M+HCOO]- 259.11871 164.3
[M+CH3COO]- 273.13436 188.5
[M+Na-2H]- 235.09518 151.5
[M]+ 214.11996 152.8
[M]- 214.12106 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.