CID 12400791

3-(chloromethoxy)prop-1-ene

Structural Information

Molecular Formula
C4H7ClO
SMILES
C=CCOCCl
InChI
InChI=1S/C4H7ClO/c1-2-3-6-4-5/h2H,1,3-4H2
InChIKey
AZAVREKVLRUVRF-UHFFFAOYSA-N
Compound name
3-(chloromethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

195
Patents

106.01854 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 115.8
[M+Na]+ 129.00776 128.1
[M+NH4]+ 124.05236 125.0
[M+K]+ 144.98170 121.4
[M-H]- 105.01126 115.8
[M+Na-2H]- 126.99321 121.2
[M]+ 106.01799 117.7
[M]- 106.01909 117.7
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