CID 212369

1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C17H27NO
SMILES
CN(C)CCC(C1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H27NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,19H,4,7-8,11-14H2,1-2H3
InChIKey
SMESLPMFLMRIHH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 164.6
[M+Na]+ 284.198478 166.0
[M-H]- 260.201984 169.4
[M+NH4]+ 279.243083 180.3
[M+K]+ 300.172418 163.5
[M+H-H2O]+ 244.206520 157.0
[M+HCOO]- 306.207461 182.3
[M+CH3COO]- 320.223111 200.2
[M+Na-2H]- 282.183926 167.9
[M]+ 261.20871142 160.0
[M]- 261.20980858 160.0
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