CID 22904935

N-boc-4-pentyne-1-amine

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)

InChIKey

JTPJJKZSKWNWKK-UHFFFAOYSA-N

Compound name

tert-butyl N-pent-4-ynylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 333
Patents: 183.12593 Da
Monoisotopic Mass: 1.9
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]+	184.13321	142.6
[M+Na]+	206.11515	150.8
[M+NH4]+	201.15975	145.6
[M+K]+	222.08909	143.5
[M-H]-	182.11865	133.4
[M+Na-2H]-	204.10060	142.4
[M]+	183.12538	140.1
[M]-	183.12648	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe