CID 136574824

2193067-25-1

Structural Information

Molecular Formula
C12H22O3
SMILES
CC1(C(CC1OC(C)(C)C)CC(=O)O)C
InChI
InChI=1S/C12H22O3/c1-11(2,3)15-9-6-8(7-10(13)14)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKey
WEBFZAVQBZMIDG-UHFFFAOYSA-N
Compound name
2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 151.5
[M+Na]+ 237.146108 157.0
[M-H]- 213.149614 153.9
[M+NH4]+ 232.190713 165.5
[M+K]+ 253.120048 159.2
[M+H-H2O]+ 197.154150 143.4
[M+HCOO]- 259.155091 168.4
[M+CH3COO]- 273.170741 191.3
[M+Na-2H]- 235.131556 154.0
[M]+ 214.15634142 162.2
[M]- 214.15743858 162.2
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.