CID 165991240

Tert-butyl 4-[methyl(prop-2-yn-1-yl)amino]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(C)CC#C
InChI
InChI=1S/C14H24N2O2/c1-6-9-15(5)12-7-10-16(11-8-12)13(17)18-14(2,3)4/h1,12H,7-11H2,2-5H3
InChIKey
YHTSMOBPRHJKOE-UHFFFAOYSA-N
Compound name
tert-butyl 4-[methyl(prop-2-ynyl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.191056 160.4
[M+Na]+ 275.172998 166.2
[M-H]- 251.176504 161.4
[M+NH4]+ 270.217603 174.7
[M+K]+ 291.146938 164.6
[M+H-H2O]+ 235.181040 147.5
[M+HCOO]- 297.181981 172.2
[M+CH3COO]- 311.197631 206.5
[M+Na-2H]- 273.158446 161.0
[M]+ 252.18323142 154.1
[M]- 252.18432858 154.1
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.