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]+ 282.18526 178.2
[M+Na]+ 304.16720 187.1
[M-H]- 280.17070 181.2
[M+NH4]+ 299.21180 189.5
[M+K]+ 320.14114 178.0
[M+H-H2O]+ 264.17524 163.5
[M+HCOO]- 326.17618 185.0
[M+CH3COO]- 340.19183 220.5
[M+Na-2H]- 302.15265 177.1
[M]+ 281.17743 166.9
[M]- 281.17853 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.