CID 212369

24252-48-0

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]+ 262.21654 164.6
[M+Na]+ 284.19848 166.0
[M-H]- 260.20198 169.4
[M+NH4]+ 279.24308 180.3
[M+K]+ 300.17242 163.5
[M+H-H2O]+ 244.20652 157.0
[M+HCOO]- 306.20746 182.3
[M+CH3COO]- 320.22311 200.2
[M+Na-2H]- 282.18393 167.9
[M]+ 261.20871 160.0
[M]- 261.20981 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