CID 9964066

2-(oxiran-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C4H8O2
SMILES
C1C(O1)CCO
InChI
InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2
InChIKey
AVSUMWIDHQEMPD-UHFFFAOYSA-N
Compound name
2-(oxiran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1124
Patents

88.05243 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 114.7
[M+Na]+ 111.04165 124.4
[M-H]- 87.045154 119.2
[M+NH4]+ 106.08625 131.8
[M+K]+ 127.01559 124.5
[M+H-H2O]+ 71.049690 109.4
[M+HCOO]- 133.05063 137.5
[M+CH3COO]- 147.06628 164.9
[M+Na-2H]- 109.02710 124.1
[M]+ 88.051881 118.1
[M]- 88.052979 118.1
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