CID 11309643

1-(oxiran-2-ylmethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CCC(CC1)(CC2CO2)O
InChI
InChI=1S/C9H16O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKey
WLBSIGOAHDUAQJ-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.8
[M+Na]+ 179.10426 140.6
[M-H]- 155.10776 140.2
[M+NH4]+ 174.14886 149.6
[M+K]+ 195.07820 140.9
[M+H-H2O]+ 139.11230 128.4
[M+HCOO]- 201.11324 152.2
[M+CH3COO]- 215.12889 175.6
[M+Na-2H]- 177.08971 141.2
[M]+ 156.11449 132.9
[M]- 156.11559 132.9
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