CID 14467

1,1-diethylguanidine

Structural Information

Molecular Formula

C₅H₁₃N₃

SMILES

CCN(CC)C(=N)N

InChI

InChI=1S/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)

InChIKey

PDDWJLGBNYUCQO-UHFFFAOYSA-N

Compound name

1,1-diethylguanidine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1712
Patents: 115.11095 Da
Monoisotopic Mass: 0.0
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]+	116.118226	126.3
[M+Na]+	138.100168	131.7
[M-H]-	114.103674	127.7
[M+NH4]+	133.144773	148.4
[M+K]+	154.074108	132.5
[M+H-H2O]+	98.108210	120.6
[M+HCOO]-	160.109151	152.5
[M+CH3COO]-	174.124801	180.8
[M+Na-2H]-	136.085616	131.3
[M]+	115.11040142	123.5
[M]-	115.11149858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe