CID 10844380

2-(chloromethyl)-1,2-epoxybutane

Structural Information

Molecular Formula
C5H9ClO
SMILES
CCC1(CO1)CCl
InChI
InChI=1S/C5H9ClO/c1-2-5(3-6)4-7-5/h2-4H2,1H3
InChIKey
JOBYTHHZLJPOLW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-ethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

421
Patents

120.034195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 120.0
[M+Na]+ 143.023413 130.6
[M-H]- 119.026919 125.6
[M+NH4]+ 138.068018 139.1
[M+K]+ 158.997353 130.2
[M+H-H2O]+ 103.031455 116.2
[M+HCOO]- 165.032396 138.8
[M+CH3COO]- 179.048046 171.9
[M+Na-2H]- 141.008861 129.8
[M]+ 120.03364642 125.9
[M]- 120.03474358 125.9
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