CID 45918

2-chloromethyl-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C6H11ClO3
SMILES
CC1(OCC(O1)CO)CCl
InChI
InChI=1S/C6H11ClO3/c1-6(4-7)9-3-5(2-8)10-6/h5,8H,2-4H2,1H3
InChIKey
LOMFXRJCLQQSJH-UHFFFAOYSA-N
Compound name
[2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.03967 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04695 130.5
[M+Na]+ 189.02889 139.0
[M-H]- 165.03239 134.0
[M+NH4]+ 184.07349 152.4
[M+K]+ 205.00283 138.9
[M+H-H2O]+ 149.03693 127.9
[M+HCOO]- 211.03787 146.4
[M+CH3COO]- 225.05352 171.2
[M+Na-2H]- 187.01434 137.7
[M]+ 166.03912 133.2
[M]- 166.04022 133.2
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