CID 3474387

3,n-dihydroxy-propionamidine

Structural Information

Molecular Formula
C3H8N2O2
SMILES
C(CO)C(=NO)N
InChI
InChI=1S/C3H8N2O2/c4-3(5-7)1-2-6/h6-7H,1-2H2,(H2,4,5)
InChIKey
GBWDQWAJGWNKHQ-UHFFFAOYSA-N
Compound name
N',3-dihydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

104.05858 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.065856 119.1
[M+Na]+ 127.047798 125.4
[M-H]- 103.051304 117.8
[M+NH4]+ 122.092403 140.5
[M+K]+ 143.021738 125.4
[M+H-H2O]+ 87.055840 114.2
[M+HCOO]- 149.056781 143.4
[M+CH3COO]- 163.072431 167.8
[M+Na-2H]- 125.033246 125.1
[M]+ 104.05803142 116.0
[M]- 104.05912858 116.0
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

patents stripe