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

156
Patents

104.05858 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06586 119.1
[M+Na]+ 127.04780 125.4
[M-H]- 103.05130 117.8
[M+NH4]+ 122.09240 140.5
[M+K]+ 143.02174 125.4
[M+H-H2O]+ 87.055840 114.2
[M+HCOO]- 149.05678 143.4
[M+CH3COO]- 163.07243 167.8
[M+Na-2H]- 125.03325 125.1
[M]+ 104.05803 116.0
[M]- 104.05913 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