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
9
Annotation Hits

24186
References

132452
Patents

129.10144 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.108716 128.6
[M+Na]+ 152.090658 133.3
[M-H]- 128.094164 131.2
[M+NH4]+ 147.135263 149.7
[M+K]+ 168.064598 135.1
[M+H-H2O]+ 112.098700 121.8
[M+HCOO]- 174.099641 157.0
[M+CH3COO]- 188.115291 188.8
[M+Na-2H]- 150.076106 132.6
[M]+ 129.10089142 123.2
[M]- 129.10198858 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe