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 183.3
[M+Na]+ 332.19848 191.6
[M-H]- 308.20198 186.0
[M+NH4]+ 327.24308 193.9
[M+K]+ 348.17242 182.3
[M+H-H2O]+ 292.20652 168.3
[M+HCOO]- 354.20746 189.6
[M+CH3COO]- 368.22311 224.3
[M+Na-2H]- 330.18393 181.5
[M]+ 309.20871 172.4
[M]- 309.20981 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.