CID 121135

N'-cyano-n,n-dimethylguanidine

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CN(C)C(=NC#N)N

InChI

InChI=1S/C4H8N4/c1-8(2)4(6)7-3-5/h1-2H3,(H2,6,7)

InChIKey

TUYAIZHPVZJKIN-UHFFFAOYSA-N

Compound name

2-cyano-1,1-dimethylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 181
Patents: 112.0749 Da
Monoisotopic Mass: -0.5
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]+	113.08218	125.0
[M+Na]+	135.06412	132.5
[M-H]-	111.06762	127.8
[M+NH4]+	130.10872	145.3
[M+K]+	151.03806	134.6
[M+H-H2O]+	95.072160	112.5
[M+HCOO]-	157.07310	148.6
[M+CH3COO]-	171.08875	193.4
[M+Na-2H]-	133.04957	130.4
[M]+	112.07435	118.6
[M]-	112.07545	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe