CID 77433

3815-86-9

Structural Information

Molecular Formula

C₃H₈N₄O₂

SMILES

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

InChI

InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)

InChIKey

PSIKPHJLTVSQFO-UHFFFAOYSA-N

Compound name

propanedihydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2915
Patents: 132.06473 Da
Monoisotopic Mass: -2.5
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]+	133.072006	124.7
[M+Na]+	155.053948	129.8
[M-H]-	131.057454	124.3
[M+NH4]+	150.098553	144.4
[M+K]+	171.027888	130.3
[M+H-H2O]+	115.061990	118.4
[M+HCOO]-	177.062931	150.9
[M+CH3COO]-	191.078581	179.7
[M+Na-2H]-	153.039396	129.3
[M]+	132.06418142	119.4
[M]-	132.06527858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe