CID 212664

4-(diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC(C)N(CC#CCOC(=O)C1(CCCC1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C22H31NO2/c1-18(2)23(19(3)4)16-10-11-17-25-21(24)22(14-8-9-15-22)20-12-6-5-7-13-20/h5-7,12-13,18-19H,8-9,14-17H2,1-4H3
InChIKey
DVLDNGQUFPNTCB-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]but-2-ynyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 184.2
[M+Na]+ 364.22469 192.1
[M+NH4]+ 359.26929 188.7
[M+K]+ 380.19863 182.9
[M-H]- 340.22819 178.8
[M+Na-2H]- 362.21014 186.5
[M]+ 341.23492 182.9
[M]- 341.23602 182.9
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.