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

57
Patents

214.12051 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 152.4
[M+Na]+ 237.10973 155.7
[M+NH4]+ 232.15433 154.0
[M+K]+ 253.08367 154.9
[M-H]- 213.11323 147.6
[M+Na-2H]- 235.09518 151.1
[M]+ 214.11996 150.0
[M]- 214.12106 150.0
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