CID 12642021

1-chloro-3-(cyclohexyloxy)propan-2-ol

Structural Information

Molecular Formula
C9H17ClO2
SMILES
C1CCC(CC1)OCC(CCl)O
InChI
InChI=1S/C9H17ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7H2
InChIKey
NCSVJWYAVAZOJM-UHFFFAOYSA-N
Compound name
1-chloro-3-cyclohexyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.0917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.098976 142.6
[M+Na]+ 215.080918 146.9
[M-H]- 191.084424 143.5
[M+NH4]+ 210.125523 161.9
[M+K]+ 231.054858 144.2
[M+H-H2O]+ 175.088960 137.9
[M+HCOO]- 237.089901 156.2
[M+CH3COO]- 251.105551 178.5
[M+Na-2H]- 213.066366 145.6
[M]+ 192.09115142 140.5
[M]- 192.09224858 140.5
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