CID 234841

13439-87-7

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCN(CC)C(=N)N(CC)CC

InChI

InChI=1S/C9H21N3/c1-5-11(6-2)9(10)12(7-3)8-4/h10H,5-8H2,1-4H3

InChIKey

JNROUINNEHNBIZ-UHFFFAOYSA-N

Compound name

1,1,3,3-tetraethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1112
Patents: 171.17355 Da
Monoisotopic Mass: 1.3
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]+	172.18083	145.1
[M+Na]+	194.16277	149.0
[M-H]-	170.16627	147.8
[M+NH4]+	189.20737	166.0
[M+K]+	210.13671	150.6
[M+H-H2O]+	154.17081	138.5
[M+HCOO]-	216.17175	171.0
[M+CH3COO]-	230.18740	196.6
[M+Na-2H]-	192.14822	148.2
[M]+	171.17300	146.0
[M]-	171.17410	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe