CID 170347

Etoformin

Structural Information

Molecular Formula

C₈H₁₉N₅

SMILES

CCCCN=C(NCC)N=C(N)N

InChI

InChI=1S/C8H19N5/c1-3-5-6-12-8(11-4-2)13-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12,13)

InChIKey

KREZRKULMRIOKR-UHFFFAOYSA-N

Compound name

2-butyl-1-(diaminomethylidene)-3-ethylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 185.16405 Da
Monoisotopic Mass: 0.2
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]+	186.171326	145.2
[M+Na]+	208.153268	148.5
[M-H]-	184.156774	147.0
[M+NH4]+	203.197873	164.2
[M+K]+	224.127208	148.8
[M+H-H2O]+	168.161310	137.6
[M+HCOO]-	230.162251	173.4
[M+CH3COO]-	244.177901	199.4
[M+Na-2H]-	206.138716	148.5
[M]+	185.16350142	141.8
[M]-	185.16459858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe