CID 10655060

113486-06-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

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

InChIKey

RXPXPDDPWDNBGV-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methylbut-3-yn-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 183.12593 Da
Monoisotopic Mass: 1.6
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	146.8
[M+Na]+	206.11515	154.8
[M-H]-	182.11865	146.7
[M+NH4]+	201.15975	164.6
[M+K]+	222.08909	154.4
[M+H-H2O]+	166.12319	136.6
[M+HCOO]-	228.12413	161.6
[M+CH3COO]-	242.13978	192.7
[M+Na-2H]-	204.10060	151.1
[M]+	183.12538	142.9
[M]-	183.12648	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe