CID 3047065

2-(dimethylaminomethyl)-1-phenylcyclohexanol

Structural Information

Molecular Formula
C15H23NO
SMILES
CN(C)CC1CCCCC1(C2=CC=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-16(2)12-14-10-6-7-11-15(14,17)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3
InChIKey
WQORSXSMHRZJRV-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

233.17796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 156.1
[M+Na]+ 256.16718 159.9
[M-H]- 232.17068 161.9
[M+NH4]+ 251.21178 175.3
[M+K]+ 272.14112 157.7
[M+H-H2O]+ 216.17522 149.1
[M+HCOO]- 278.17616 176.1
[M+CH3COO]- 292.19181 194.4
[M+Na-2H]- 254.15263 160.1
[M]+ 233.17741 152.0
[M]- 233.17851 152.0
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