CID 212668

24642-38-4

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCN(CC)CC#CC(C)OC(=O)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C22H31NO2/c1-4-23(5-2)18-12-13-19(3)25-21(24)22(16-10-7-11-17-22)20-14-8-6-9-15-20/h6,8-9,14-15,19H,4-5,7,10-11,16-18H2,1-3H3
InChIKey
XFRYKIWDVYCTQI-UHFFFAOYSA-N
Compound name
5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 189.1
[M+Na]+ 364.22469 193.5
[M-H]- 340.22819 192.8
[M+NH4]+ 359.26929 202.3
[M+K]+ 380.19863 187.4
[M+H-H2O]+ 324.23273 175.1
[M+HCOO]- 386.23367 201.4
[M+CH3COO]- 400.24932 220.5
[M+Na-2H]- 362.21014 187.4
[M]+ 341.23492 182.1
[M]- 341.23602 182.1
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.