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]+ 310.216536 183.3
[M+Na]+ 332.198478 191.6
[M-H]- 308.201984 186.0
[M+NH4]+ 327.243083 193.9
[M+K]+ 348.172418 182.3
[M+H-H2O]+ 292.206520 168.3
[M+HCOO]- 354.207461 189.6
[M+CH3COO]- 368.223111 224.3
[M+Na-2H]- 330.183926 181.5
[M]+ 309.20871142 172.4
[M]- 309.20980858 172.4
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.