CID 21898

5694-75-7

Structural Information

Molecular Formula
C11H22O3
SMILES
CC(C)C1(OCC(O1)CO)C(C)(C)C
InChI
InChI=1S/C11H22O3/c1-8(2)11(10(3,4)5)13-7-9(6-12)14-11/h8-9,12H,6-7H2,1-5H3
InChIKey
ZQKFYBJMYPQDRL-UHFFFAOYSA-N
Compound name
(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 146.5
[M+Na]+ 225.146108 152.6
[M-H]- 201.149614 149.8
[M+NH4]+ 220.190713 166.5
[M+K]+ 241.120048 154.3
[M+H-H2O]+ 185.154150 143.5
[M+HCOO]- 247.155091 162.9
[M+CH3COO]- 261.170741 183.0
[M+Na-2H]- 223.131556 151.5
[M]+ 202.15634142 148.2
[M]- 202.15743858 148.2
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.