CID 22811

2-methyl-1,2,3,4-diepoxybutane

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1(CO1)C2CO2
InChI
InChI=1S/C5H8O2/c1-5(3-7-5)4-2-6-4/h4H,2-3H2,1H3
InChIKey
YDCANTZAVGJEFZ-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxiran-2-yl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

291
Patents

100.05243 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 131.1
[M+Na]+ 123.04165 140.0
[M-H]- 99.045154 140.4
[M+NH4]+ 118.08625 142.0
[M+K]+ 139.01559 144.0
[M+H-H2O]+ 83.049690 125.9
[M+HCOO]- 145.05063 150.1
[M+CH3COO]- 159.06628 180.2
[M+Na-2H]- 121.02710 139.6
[M]+ 100.05188 137.4
[M]- 100.05298 137.4
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