CID 58242062

Tert-butyl pent-1-yn-3-ylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCC(C#C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H17NO2/c1-6-8(7-2)11-9(12)13-10(3,4)5/h1,8H,7H2,2-5H3,(H,11,12)

InChIKey

RBTXZJOEDUPLAN-UHFFFAOYSA-N

Compound name

tert-butyl N-pent-1-yn-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.12593 Da
Monoisotopic Mass: 2.0
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]+	184.13321	142.4
[M+Na]+	206.11515	150.4
[M+NH4]+	201.15975	145.3
[M+K]+	222.08909	143.8
[M-H]-	182.11865	133.0
[M+Na-2H]-	204.10060	141.9
[M]+	183.12538	139.8
[M]-	183.12648	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe