CID 199827

5076-60-8

Structural Information

Molecular Formula
C21H27NO
SMILES
CCN(CC)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O
InChI
InChI=1S/C21H27NO/c1-3-22(4-2)18-8-9-19-10-12-20(13-11-19)14-17-21(23)15-6-5-7-16-21/h10-13,23H,3-7,15-16,18H2,1-2H3
InChIKey
OLZUTLBHIYGXLO-UHFFFAOYSA-N
Compound name
1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 191.5
[M+Na]+ 332.19848 199.5
[M+NH4]+ 327.24308 192.8
[M+K]+ 348.17242 186.5
[M-H]- 308.20198 182.1
[M+Na-2H]- 330.18393 190.8
[M]+ 309.20871 188.8
[M]- 309.20981 188.8
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.