CID 12181732

202925-92-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)OC(=O)NCCCC=C

InChI

InChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)

InChIKey

UZABMBWHKURXMU-UHFFFAOYSA-N

Compound name

tert-butyl N-pent-4-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 94
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	145.1
[M+Na]+	208.13081	150.9
[M-H]-	184.13431	145.2
[M+NH4]+	203.17541	165.1
[M+K]+	224.10475	150.2
[M+H-H2O]+	168.13885	140.3
[M+HCOO]-	230.13979	167.1
[M+CH3COO]-	244.15544	185.3
[M+Na-2H]-	206.11626	149.8
[M]+	185.14104	147.3
[M]-	185.14214	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe