CID 10920889

2-propanol, 1-chloro-3-(1,1-dimethylethoxy)-

Structural Information

Molecular Formula
C7H15ClO2
SMILES
CC(C)(C)OCC(CCl)O
InChI
InChI=1S/C7H15ClO2/c1-7(2,3)10-5-6(9)4-8/h6,9H,4-5H2,1-3H3
InChIKey
RYSBUWFKNDRQDC-UHFFFAOYSA-N
Compound name
1-chloro-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

166.07605 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08333 135.3
[M+Na]+ 189.06527 142.9
[M-H]- 165.06877 134.4
[M+NH4]+ 184.10987 156.5
[M+K]+ 205.03921 141.0
[M+H-H2O]+ 149.07331 132.5
[M+HCOO]- 211.07425 150.8
[M+CH3COO]- 225.08990 175.8
[M+Na-2H]- 187.05072 140.5
[M]+ 166.07550 138.6
[M]- 166.07660 138.6
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