CID 10241245

169268-90-0

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

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

InChI

InChI=1S/C9H17NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6H,1,7H2,2-5H3

InChIKey

SCCPQPQIOJNZIE-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-prop-2-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 171.12593 Da
Monoisotopic Mass: 1.8
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]+	172.13321	140.4
[M+Na]+	194.11515	148.8
[M+NH4]+	189.15975	147.0
[M+K]+	210.08909	145.0
[M-H]-	170.11865	139.1
[M+Na-2H]-	192.10060	143.0
[M]+	171.12538	140.9
[M]-	171.12648	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe