CID 185467

1-chloro-2-methoxypropane

Structural Information

Molecular Formula
C4H9ClO
SMILES
CC(CCl)OC
InChI
InChI=1S/C4H9ClO/c1-4(3-5)6-2/h4H,3H2,1-2H3
InChIKey
YSZGJULIUWQDME-UHFFFAOYSA-N
Compound name
1-chloro-2-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

108.034195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 117.8
[M+Na]+ 131.02341 126.4
[M-H]- 107.02692 118.4
[M+NH4]+ 126.06802 141.8
[M+K]+ 146.99735 125.6
[M+H-H2O]+ 91.031455 114.9
[M+HCOO]- 153.03240 137.0
[M+CH3COO]- 167.04805 168.0
[M+Na-2H]- 129.00886 124.5
[M]+ 108.03365 120.9
[M]- 108.03474 120.9
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