CID 45917

63979-50-0

Structural Information

Molecular Formula
C9H18O3
SMILES
CC1(OCC(O1)CO)C(C)(C)C
InChI
InChI=1S/C9H18O3/c1-8(2,3)9(4)11-6-7(5-10)12-9/h7,10H,5-6H2,1-4H3
InChIKey
BBWWZOFDJOJRFA-UHFFFAOYSA-N
Compound name
(2-tert-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 137.0
[M+Na]+ 197.114818 144.2
[M-H]- 173.118324 140.5
[M+NH4]+ 192.159423 158.2
[M+K]+ 213.088758 145.9
[M+H-H2O]+ 157.122860 134.2
[M+HCOO]- 219.123801 155.1
[M+CH3COO]- 233.139451 176.1
[M+Na-2H]- 195.100266 144.3
[M]+ 174.12505142 138.6
[M]- 174.12614858 138.6
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.