CID 4219754

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(OCC(O1)CCO)C
InChI
InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3
InChIKey
YYEZYENJAMOWHW-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

870
Patents

146.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 128.6
[M+Na]+ 169.08352 136.1
[M-H]- 145.08702 132.2
[M+NH4]+ 164.12812 150.7
[M+K]+ 185.05746 137.9
[M+H-H2O]+ 129.09156 125.3
[M+HCOO]- 191.09250 148.9
[M+CH3COO]- 205.10815 170.3
[M+Na-2H]- 167.06897 135.9
[M]+ 146.09375 130.0
[M]- 146.09485 130.0
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