CID 135422277

Nsc67609

Structural Information

Molecular Formula

C₆H₉N₅

SMILES

C1=CNC(=C1)/C=N/N=C(N)N

InChI

InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)/b10-4+

InChIKey

KPLSTJVTISYPSF-ONNFQVAWSA-N

Compound name

2-[(E)-1H-pyrrol-2-ylmethylideneamino]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.0858 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]+	152.09308	128.6
[M+Na]+	174.07502	134.5
[M-H]-	150.07852	131.5
[M+NH4]+	169.11962	148.8
[M+K]+	190.04896	133.0
[M+H-H2O]+	134.08306	120.6
[M+HCOO]-	196.08400	157.3
[M+CH3COO]-	210.09965	183.9
[M+Na-2H]-	172.06047	134.9
[M]+	151.08525	123.3
[M]-	151.08635	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.