CID 124507532

Tert-butyl n-[1-(prop-2-yn-1-yl)piperidin-4-yl]carbamate

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)CC#C
InChI
InChI=1S/C13H22N2O2/c1-5-8-15-9-6-11(7-10-15)14-12(16)17-13(2,3)4/h1,11H,6-10H2,2-4H3,(H,14,16)
InChIKey
LIFADCULPALWIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-prop-2-ynylpiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

238.16812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 158.2
[M+Na]+ 261.15734 166.1
[M+NH4]+ 256.20194 160.9
[M+K]+ 277.13128 158.6
[M-H]- 237.16084 150.1
[M+Na-2H]- 259.14279 158.0
[M]+ 238.16757 155.9
[M]- 238.16867 155.9
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

patents stripe