CID 77596

3973-18-0

Structural Information

Molecular Formula
C5H8O2
SMILES
C#CCOCCO
InChI
InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
InChIKey
GHGCQQRMJCSIBQ-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

621
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 116.1
[M+Na]+ 123.04165 125.9
[M-H]- 99.045154 115.0
[M+NH4]+ 118.08625 136.5
[M+K]+ 139.01559 124.8
[M+H-H2O]+ 83.049690 106.3
[M+HCOO]- 145.05063 134.0
[M+CH3COO]- 159.06628 173.8
[M+Na-2H]- 121.02710 122.9
[M]+ 100.05188 112.3
[M]- 100.05298 112.3
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.