CID 11830384

Tert-butyl hex-5-yn-1-ylcarbamate

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

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

InChI

InChI=1S/C11H19NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h1H,6-9H2,2-4H3,(H,12,13)

InChIKey

QUIDQZORWGPNKV-UHFFFAOYSA-N

Compound name

tert-butyl N-hex-5-ynylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 197.14159 Da
Monoisotopic Mass: 2.2
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]+	198.14887	146.5
[M+Na]+	220.13081	154.6
[M+NH4]+	215.17541	149.4
[M+K]+	236.10475	147.1
[M-H]-	196.13431	137.3
[M+Na-2H]-	218.11626	146.1
[M]+	197.14104	144.0
[M]-	197.14214	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe