CID 9920713

51329-29-4

Structural Information

Molecular Formula
C13H18O2
SMILES
C1CC[C@H]([C@@H](C1)O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m1/s1
InChIKey
OZOOGFVOCPMNTN-CHWSQXEVSA-N
Compound name
(1R,2R)-2-phenylmethoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.6
[M+Na]+ 229.11990 150.9
[M-H]- 205.12340 151.0
[M+NH4]+ 224.16450 164.4
[M+K]+ 245.09384 148.1
[M+H-H2O]+ 189.12794 139.7
[M+HCOO]- 251.12888 165.9
[M+CH3COO]- 265.14453 182.6
[M+Na-2H]- 227.10535 151.0
[M]+ 206.13013 142.4
[M]- 206.13123 142.4
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