CID 203646

14893-26-6

Structural Information

Molecular Formula
C19H23NO
SMILES
CN(C)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O
InChI
InChI=1S/C19H23NO/c1-20(2)16-6-7-17-8-10-18(11-9-17)12-15-19(21)13-4-3-5-14-19/h8-11,21H,3-5,13-14,16H2,1-2H3
InChIKey
QWYKSAVKYBACJJ-UHFFFAOYSA-N
Compound name
1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 178.2
[M+Na]+ 304.167198 187.1
[M-H]- 280.170704 181.2
[M+NH4]+ 299.211803 189.5
[M+K]+ 320.141138 178.0
[M+H-H2O]+ 264.175240 163.5
[M+HCOO]- 326.176181 185.0
[M+CH3COO]- 340.191831 220.5
[M+Na-2H]- 302.152646 177.1
[M]+ 281.17743142 166.9
[M]- 281.17852858 166.9
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

No patent data available for this compound.