CID 11073648

N-boc-propargylamine

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

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

InChI

InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)

InChIKey

DSPYCWLYGXGJNJ-UHFFFAOYSA-N

Compound name

tert-butyl N-prop-2-ynylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2188
Patents: 155.09464 Da
Monoisotopic Mass: 1.0
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]+	156.10192	134.7
[M+Na]+	178.08386	143.3
[M+NH4]+	173.12846	138.0
[M+K]+	194.05780	136.4
[M-H]-	154.08736	125.6
[M+Na-2H]-	176.06931	135.0
[M]+	155.09409	132.2
[M]-	155.09519	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe