CID 27574

15944-43-1

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
C1CCN(C1)CC#CCOC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H17ClN2O2/c16-13-6-5-7-14(12-13)17-15(19)20-11-4-3-10-18-8-1-2-9-18/h5-7,12H,1-2,8-11H2,(H,17,19)
InChIKey
ARFAGUMSEYHDPD-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

292.09787 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 167.4
[M+Na]+ 315.08709 177.8
[M+NH4]+ 310.13169 171.1
[M+K]+ 331.06103 169.2
[M-H]- 291.09059 161.7
[M+Na-2H]- 313.07254 169.6
[M]+ 292.09732 166.4
[M]- 292.09842 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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