CID 118927

1-chloro-3-methoxypropane

Structural Information

Molecular Formula
C4H9ClO
SMILES
COCCCCl
InChI
InChI=1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3
InChIKey
BQLHMMQUVJCTAN-UHFFFAOYSA-N
Compound name
1-chloro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

960
Patents

108.034195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 117.7
[M+Na]+ 131.02341 126.5
[M-H]- 107.02692 118.2
[M+NH4]+ 126.06802 141.7
[M+K]+ 146.99735 125.3
[M+H-H2O]+ 91.031455 114.7
[M+HCOO]- 153.03240 137.9
[M+CH3COO]- 167.04805 167.2
[M+Na-2H]- 129.00886 125.6
[M]+ 108.03365 121.4
[M]- 108.03474 121.4
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