CID 10656659

Tert-butyl 2-benzylhydrazinecarboxylate

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NNCC1=CC=CC=C1

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)

InChIKey

OPVJBJKJBHTNCE-UHFFFAOYSA-N

Compound name

tert-butyl N-(benzylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 222.13683 Da
Monoisotopic Mass: 2.2
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]+	223.144106	151.7
[M+Na]+	245.126048	156.7
[M-H]-	221.129554	155.1
[M+NH4]+	240.170653	169.5
[M+K]+	261.099988	155.4
[M+H-H2O]+	205.134090	145.2
[M+HCOO]-	267.135031	175.5
[M+CH3COO]-	281.150681	192.5
[M+Na-2H]-	243.111496	158.4
[M]+	222.13628142	152.0
[M]-	222.13737858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe