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

152
Patents

136.02911 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.036386 123.9
[M+Na]+ 159.018328 132.4
[M-H]- 135.021834 124.4
[M+NH4]+ 154.062933 146.7
[M+K]+ 174.992268 131.1
[M+H-H2O]+ 119.026370 120.7
[M+HCOO]- 181.027311 143.3
[M+CH3COO]- 195.042961 172.0
[M+Na-2H]- 157.003776 130.0
[M]+ 136.02856142 128.2
[M]- 136.02965858 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