CID 132398450

2166745-49-7

Structural Information

Molecular Formula
C11H18O4
SMILES
CC1(CC(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H18O4/c1-10(2,3)15-8(12)7-5-11(4,6-7)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)
InChIKey
IFAGPUJTBGVORN-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 152.6
[M+Na]+ 237.10973 156.0
[M+NH4]+ 232.15433 155.5
[M+K]+ 253.08367 153.6
[M-H]- 213.11323 147.8
[M+Na-2H]- 235.09518 152.9
[M]+ 214.11996 150.4
[M]- 214.12106 150.4
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.