CID 58396

1,1-bis(2-hydroxyethyl)biguanide monohydrochloride

Structural Information

Molecular Formula
C6H15N5O2
SMILES
C(CO)N(CCO)C(=N)N=C(N)N
InChI
InChI=1S/C6H15N5O2/c7-5(8)10-6(9)11(1-3-12)2-4-13/h12-13H,1-4H2,(H5,7,8,9,10)
InChIKey
GLNJHFNULLJAIY-UHFFFAOYSA-N
Compound name
3-(diaminomethylidene)-1,1-bis(2-hydroxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.12257 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12985 143.1
[M+Na]+ 212.11179 145.6
[M+NH4]+ 207.15639 147.3
[M+K]+ 228.08573 144.6
[M-H]- 188.11529 142.1
[M+Na-2H]- 210.09724 143.2
[M]+ 189.12202 142.1
[M]- 189.12312 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.