CID 11959094

2-hydrazinyl-5-iodopyrimidine

Structural Information

Molecular Formula

SMILES

C1=C(C=NC(=N1)NN)I

InChI

InChI=1S/C4H5IN4/c5-3-1-7-4(9-6)8-2-3/h1-2H,6H2,(H,7,8,9)

InChIKey

XEJKRMCQZDXCQF-UHFFFAOYSA-N

Compound name

(5-iodopyrimidin-2-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.95589 Da
Monoisotopic Mass: 0.4
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]+	236.96317	134.2
[M+Na]+	258.94511	135.6
[M-H]-	234.94861	128.3
[M+NH4]+	253.98971	148.0
[M+K]+	274.91905	139.6
[M+H-H2O]+	218.95315	123.3
[M+HCOO]-	280.95409	153.7
[M+CH3COO]-	294.96974	183.5
[M+Na-2H]-	256.93056	131.1
[M]+	235.95534	128.9
[M]-	235.95644	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.