CID 109021

60819-41-2

Structural Information

Molecular Formula
C10H16N6O2
SMILES
C1CN1C2=NC(=NC(=N2)NC(CO)CO)N3CC3
InChI
InChI=1S/C10H16N6O2/c17-5-7(6-18)11-8-12-9(15-1-2-15)14-10(13-8)16-3-4-16/h7,17-18H,1-6H2,(H,11,12,13,14)
InChIKey
MRABZSNALSVEMX-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.13347 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14075 187.5
[M+Na]+ 275.12269 195.3
[M-H]- 251.12619 188.6
[M+NH4]+ 270.16729 186.5
[M+K]+ 291.09663 188.2
[M+H-H2O]+ 235.13073 178.7
[M+HCOO]- 297.13167 201.7
[M+CH3COO]- 311.14732 192.9
[M+Na-2H]- 273.10814 188.2
[M]+ 252.13292 189.3
[M]- 252.13402 189.3
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