CID 59834874

847416-52-8

Structural Information

Molecular Formula
C11H18O4
SMILES
CC(C)(C)OC(=O)CC1CC(C1)C(=O)O
InChI
InChI=1S/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKey
ZNUHNXJFVFZURM-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

214.12051 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 149.3
[M+Na]+ 237.109728 153.3
[M-H]- 213.113234 151.1
[M+NH4]+ 232.154333 160.8
[M+K]+ 253.083668 156.1
[M+H-H2O]+ 197.117770 139.3
[M+HCOO]- 259.118711 165.9
[M+CH3COO]- 273.134361 188.9
[M+Na-2H]- 235.095176 150.5
[M]+ 214.11996142 158.9
[M]- 214.12105858 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe