CID 11830384

151978-58-4

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: 85
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	148.5
[M+Na]+	220.13081	155.9
[M-H]-	196.13431	147.9
[M+NH4]+	215.17541	165.8
[M+K]+	236.10475	154.7
[M+H-H2O]+	180.13885	137.6
[M+HCOO]-	242.13979	164.6
[M+CH3COO]-	256.15544	195.0
[M+Na-2H]-	218.11626	151.9
[M]+	197.14104	145.5
[M]-	197.14214	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe