CID 58396

101491-37-6

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 141.9
[M+Na]+ 212.11179 144.8
[M-H]- 188.11529 141.2
[M+NH4]+ 207.15639 158.9
[M+K]+ 228.08573 145.4
[M+H-H2O]+ 172.11983 134.5
[M+HCOO]- 234.12077 167.2
[M+CH3COO]- 248.13642 194.7
[M+Na-2H]- 210.09724 144.0
[M]+ 189.12202 136.2
[M]- 189.12312 136.2
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.