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]+ 203.16417 146.5
[M+Na]+ 225.14611 152.6
[M-H]- 201.14961 149.8
[M+NH4]+ 220.19071 166.5
[M+K]+ 241.12005 154.3
[M+H-H2O]+ 185.15415 143.5
[M+HCOO]- 247.15509 162.9
[M+CH3COO]- 261.17074 183.0
[M+Na-2H]- 223.13156 151.5
[M]+ 202.15634 148.2
[M]- 202.15744 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.