CID 10678294

3-chloro-2-(methoxymethoxy)prop-1-ene

Structural Information

Molecular Formula
C5H9ClO2
SMILES
COCOC(=C)CCl
InChI
InChI=1S/C5H9ClO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3
InChIKey
JKHPOPCIKQQRPU-UHFFFAOYSA-N
Compound name
3-chloro-2-(methoxymethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

136.02911 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 123.9
[M+Na]+ 159.01833 132.4
[M-H]- 135.02183 124.4
[M+NH4]+ 154.06293 146.7
[M+K]+ 174.99227 131.1
[M+H-H2O]+ 119.02637 120.7
[M+HCOO]- 181.02731 143.3
[M+CH3COO]- 195.04296 172.0
[M+Na-2H]- 157.00378 130.0
[M]+ 136.02856 128.2
[M]- 136.02966 128.2
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