CID 11263760

156731-40-7

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)OC(=O)NCCC=C

InChI

InChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)

InChIKey

YWSXTMBDIBZHBB-UHFFFAOYSA-N

Compound name

tert-butyl N-but-3-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 308
Patents: 171.12593 Da
Monoisotopic Mass: 2.0
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	140.5
[M+Na]+	194.11515	146.7
[M-H]-	170.11865	140.8
[M+NH4]+	189.15975	161.0
[M+K]+	210.08909	146.2
[M+H-H2O]+	154.12319	135.9
[M+HCOO]-	216.12413	162.8
[M+CH3COO]-	230.13978	182.2
[M+Na-2H]-	192.10060	145.7
[M]+	171.12538	142.2
[M]-	171.12648	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe