CID 72771

5680-83-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NN

InChI

InChI=1S/C10H13N3O3/c11-13-9(14)6-12-10(15)16-7-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,15)(H,13,14)

InChIKey

FBXJOIKPPWLCJU-UHFFFAOYSA-N

Compound name

benzyl N-(2-hydrazinyl-2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 50
Patents: 223.09569 Da
Monoisotopic Mass: 0.0
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]+	224.102966	148.0
[M+Na]+	246.084908	152.4
[M-H]-	222.088414	150.8
[M+NH4]+	241.129513	164.6
[M+K]+	262.058848	151.3
[M+H-H2O]+	206.092950	140.4
[M+HCOO]-	268.093891	173.7
[M+CH3COO]-	282.109541	193.0
[M+Na-2H]-	244.070356	153.0
[M]+	223.09514142	146.3
[M]-	223.09623858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe