CID 3637

Hydralazine

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CC=C2C(=C1)C=NN=C2NN

InChI

InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)

InChIKey

RPTUSVTUFVMDQK-UHFFFAOYSA-N

Compound name

phthalazin-1-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 4722
References: 36284
Patents: 160.07489 Da
Monoisotopic Mass: 0.7
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]+	161.082166	129.6
[M+Na]+	183.064108	138.3
[M-H]-	159.067614	131.3
[M+NH4]+	178.108713	148.0
[M+K]+	199.038048	134.9
[M+H-H2O]+	143.072150	121.9
[M+HCOO]-	205.073091	153.3
[M+CH3COO]-	219.088741	142.8
[M+Na-2H]-	181.049556	141.1
[M]+	160.07434142	127.1
[M]-	160.07543858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe