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

67
Patents

233.17796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.1
[M+Na]+ 256.167178 159.9
[M-H]- 232.170684 161.9
[M+NH4]+ 251.211783 175.3
[M+K]+ 272.141118 157.7
[M+H-H2O]+ 216.175220 149.1
[M+HCOO]- 278.176161 176.1
[M+CH3COO]- 292.191811 194.4
[M+Na-2H]- 254.152626 160.1
[M]+ 233.17741142 152.0
[M]- 233.17850858 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