CID 4091

Metformin

Structural Information

Molecular Formula

C₄H₁₁N₅

SMILES

CN(C)C(=N)N=C(N)N

InChI

InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

InChIKey

XZWYZXLIPXDOLR-UHFFFAOYSA-N

Compound name

3-(diaminomethylidene)-1,1-dimethylguanidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 23844
References: 121188
Patents: 129.10144 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]+	130.10872	129.2
[M+Na]+	152.09066	134.2
[M+NH4]+	147.13526	135.7
[M+K]+	168.06460	131.9
[M-H]-	128.09416	130.5
[M+Na-2H]-	150.07611	131.9
[M]+	129.10089	129.5
[M]-	129.10199	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe