CID 20553682

1-chloro-3-(propan-2-yloxy)propane

Structural Information

Molecular Formula
C6H13ClO
SMILES
CC(C)OCCCCl
InChI
InChI=1S/C6H13ClO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
InChIKey
OYVDATWIUMMRMU-UHFFFAOYSA-N
Compound name
1-chloro-3-propan-2-yloxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

136.06549 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07277 127.3
[M+Na]+ 159.05471 135.1
[M-H]- 135.05821 127.6
[M+NH4]+ 154.09931 150.2
[M+K]+ 175.02865 133.7
[M+H-H2O]+ 119.06275 124.0
[M+HCOO]- 181.06369 145.9
[M+CH3COO]- 195.07934 174.0
[M+Na-2H]- 157.04016 132.9
[M]+ 136.06494 131.2
[M]- 136.06604 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe