CID 546260

1033334-00-7

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NN

InChI

InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)15-10(11(17)16-14)9-7-5-4-6-8-9/h4-8,10H,14H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

UGJVDHKUPLYPDD-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 265.14264 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]+	266.149916	162.2
[M+Na]+	288.131858	165.5
[M-H]-	264.135364	164.9
[M+NH4]+	283.176463	177.2
[M+K]+	304.105798	164.9
[M+H-H2O]+	248.139900	155.0
[M+HCOO]-	310.140841	184.4
[M+CH3COO]-	324.156491	202.7
[M+Na-2H]-	286.117306	165.3
[M]+	265.14209142	160.3
[M]-	265.14318858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe