CID 25831

13282-14-9

Structural Information

Molecular Formula

C₄H₁₂N₆

SMILES

C(CN=C(N)N)N=C(N)N

InChI

InChI=1S/C4H12N6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H4,5,6,9)(H4,7,8,10)

InChIKey

MRXYVMXWTBRRSB-UHFFFAOYSA-N

Compound name

2-[2-(diaminomethylideneamino)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 84
Patents: 144.11235 Da
Monoisotopic Mass: -2.9
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]+	145.119626	128.7
[M+Na]+	167.101568	132.8
[M-H]-	143.105074	130.0
[M+NH4]+	162.146173	148.1
[M+K]+	183.075508	133.5
[M+H-H2O]+	127.109610	121.2
[M+HCOO]-	189.110551	157.7
[M+CH3COO]-	203.126201	193.0
[M+Na-2H]-	165.087016	132.3
[M]+	144.11180142	121.2
[M]-	144.11289858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe