CID 24973699

91798-92-4

Structural Information

Molecular Formula
C9H14O3
SMILES
C#CCCC1(OCCO1)CCO
InChI
InChI=1S/C9H14O3/c1-2-3-4-9(5-6-10)11-7-8-12-9/h1,10H,3-8H2
InChIKey
HSNUDHDRWVLMOO-UHFFFAOYSA-N
Compound name
2-(2-but-3-ynyl-1,3-dioxolan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

170.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 131.2
[M+Na]+ 193.08352 140.4
[M-H]- 169.08702 132.8
[M+NH4]+ 188.12812 149.7
[M+K]+ 209.05746 138.7
[M+H-H2O]+ 153.09156 120.8
[M+HCOO]- 215.09250 145.9
[M+CH3COO]- 229.10815 182.5
[M+Na-2H]- 191.06897 137.7
[M]+ 170.09375 127.1
[M]- 170.09485 127.1
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