CID 212670

24642-40-8

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C#CCN1CCCC1)OC(=O)C2(CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-19(11-10-18-23-16-8-9-17-23)25-21(24)22(14-6-3-7-15-22)20-12-4-2-5-13-20/h2,4-5,12-13,19H,3,6-9,14-18H2,1H3
InChIKey
ARCHVONCPAYDJV-UHFFFAOYSA-N
Compound name
5-pyrrolidin-1-ylpent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 187.8
[M+Na]+ 362.20904 192.3
[M-H]- 338.21254 191.1
[M+NH4]+ 357.25364 200.5
[M+K]+ 378.18298 183.7
[M+H-H2O]+ 322.21708 172.4
[M+HCOO]- 384.21802 196.8
[M+CH3COO]- 398.23367 212.2
[M+Na-2H]- 360.19449 184.2
[M]+ 339.21927 176.4
[M]- 339.22037 176.4
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.