CID 59650911

1649973-85-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(CNC(=O)OC(C)(C)C)C=C

InChI

InChI=1S/C10H19NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)

InChIKey

LZWRRSKCTAXZSH-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methylbut-3-enyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.14159 Da
Monoisotopic Mass: 2.4
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	145.0
[M+Na]+	208.13081	150.5
[M-H]-	184.13431	145.2
[M+NH4]+	203.17541	164.9
[M+K]+	224.10475	150.3
[M+H-H2O]+	168.13885	140.3
[M+HCOO]-	230.13979	166.0
[M+CH3COO]-	244.15544	186.1
[M+Na-2H]-	206.11626	148.4
[M]+	185.14104	146.5
[M]-	185.14214	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe