CID 10005

Dicyandiamide

Structural Information

Molecular Formula

C₂H₄N₄

SMILES

C(#N)N=C(N)N

InChI

InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)

InChIKey

QGBSISYHAICWAH-UHFFFAOYSA-N

Compound name

2-cyanoguanidine

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 250
References: 104405
Patents: 84.043594 Da
Monoisotopic Mass: -1.2
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]+	85.050870	116.6
[M+Na]+	107.032812	124.7
[M-H]-	83.036318	118.0
[M+NH4]+	102.077417	137.0
[M+K]+	123.006752	125.8
[M+H-H2O]+	67.040854	104.7
[M+HCOO]-	129.041795	139.8
[M+CH3COO]-	143.057445	184.8
[M+Na-2H]-	105.018260	122.7
[M]+	84.04304542	107.6
[M]-	84.04414258	107.6

Literature stripe

literature stripe

Patent stripe

patents stripe