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]+ 137.072766 127.3
[M+Na]+ 159.054708 135.1
[M-H]- 135.058214 127.6
[M+NH4]+ 154.099313 150.2
[M+K]+ 175.028648 133.7
[M+H-H2O]+ 119.062750 124.0
[M+HCOO]- 181.063691 145.9
[M+CH3COO]- 195.079341 174.0
[M+Na-2H]- 157.040156 132.9
[M]+ 136.06494142 131.2
[M]- 136.06603858 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