CID 43652133

942600-25-1

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCC#C

InChI

InChI=1S/C13H22N2O2/c1-5-8-14-11-6-9-15(10-7-11)12(16)17-13(2,3)4/h1,11,14H,6-10H2,2-4H3

InChIKey

MMQDTTIIJVUTCS-UHFFFAOYSA-N

Compound name

tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 238.16812 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.17540	157.7
[M+Na]+	261.15734	163.6
[M-H]-	237.16084	157.5
[M+NH4]+	256.20194	171.9
[M+K]+	277.13128	161.1
[M+H-H2O]+	221.16538	145.0
[M+HCOO]-	283.16632	169.3
[M+CH3COO]-	297.18197	200.7
[M+Na-2H]-	259.14279	159.3
[M]+	238.16757	149.8
[M]-	238.16867	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe