CID 3043660

Metformin xr

Structural Information

Molecular Formula

C₄H₁₁N₅

SMILES

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

InChI

InChI=1S/C4H11N5/c1-8-4(7)9(2)3(5)6/h1-2H3,(H3,5,6)(H2,7,8)

InChIKey

LJVNRPAERZRHDF-UHFFFAOYSA-N

Compound name

1-carbamimidoyl-1,2-dimethylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 219
Patents: 129.10144 Da
Monoisotopic Mass: -1.4
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	128.6
[M+Na]+	152.09066	133.3
[M-H]-	128.09416	131.2
[M+NH4]+	147.13526	149.7
[M+K]+	168.06460	135.1
[M+H-H2O]+	112.09870	121.8
[M+HCOO]-	174.09964	157.0
[M+CH3COO]-	188.11529	188.8
[M+Na-2H]-	150.07611	132.6
[M]+	129.10089	123.2
[M]-	129.10199	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe