CID 14585915

1-(boc-amino)-2,3-butadiene

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(C)(C)OC(=O)NCC=C=C

InChI

InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11)

InChIKey

AMRPVMHVZVNBQI-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 169.11028 Da
Monoisotopic Mass: 1.2
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]+	170.11756	140.1
[M+Na]+	192.09950	148.4
[M+NH4]+	187.14410	146.2
[M+K]+	208.07344	144.0
[M-H]-	168.10300	138.2
[M+Na-2H]-	190.08495	142.4
[M]+	169.10973	140.4
[M]-	169.11083	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe