CID 96636

1617-13-6

Structural Information

Molecular Formula

C₂H₈N₆O₂

SMILES

C(=O)(NN)NNC(=O)NN

InChI

InChI=1S/C2H8N6O2/c3-5-1(9)7-8-2(10)6-4/h3-4H2,(H2,5,7,9)(H2,6,8,10)

InChIKey

BGEVFSCRPUOYHH-UHFFFAOYSA-N

Compound name

1-amino-3-(hydrazinecarbonylamino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 148.07088 Da
Monoisotopic Mass: -1.7
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]+	149.07816	125.1
[M+Na]+	171.06010	129.2
[M-H]-	147.06360	125.0
[M+NH4]+	166.10470	143.5
[M+K]+	187.03404	130.3
[M+H-H2O]+	131.06814	117.8
[M+HCOO]-	193.06908	153.5
[M+CH3COO]-	207.08473	186.1
[M+Na-2H]-	169.04555	130.8
[M]+	148.07033	117.6
[M]-	148.07143	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe