CID 18624577

312728-28-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)OC(=O)N(C)CCC=C

InChI

InChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6H,1,7-8H2,2-5H3

InChIKey

MZYNQTOPYXEUDX-UHFFFAOYSA-N

Compound name

tert-butyl N-but-3-enyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 185.14159 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]+	186.14887	144.1
[M+Na]+	208.13081	150.1
[M-H]-	184.13431	145.8
[M+NH4]+	203.17541	164.8
[M+K]+	224.10475	150.8
[M+H-H2O]+	168.13885	139.2
[M+HCOO]-	230.13979	166.6
[M+CH3COO]-	244.15544	188.8
[M+Na-2H]-	206.11626	148.2
[M]+	185.14104	147.6
[M]-	185.14214	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe