CID 109022

Brn 0554214

Structural Information

Molecular Formula
C11H18N6O2
SMILES
CC(CO)(CO)NC1=NC(=NC(=N1)N2CC2)N3CC3
InChI
InChI=1S/C11H18N6O2/c1-11(6-18,7-19)15-8-12-9(16-2-3-16)14-10(13-8)17-4-5-17/h18-19H,2-7H2,1H3,(H,12,13,14,15)
InChIKey
YKVCDJBETRCQFL-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1491 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15638 193.6
[M+Na]+ 289.13832 201.3
[M-H]- 265.14182 194.7
[M+NH4]+ 284.18292 192.2
[M+K]+ 305.11226 194.2
[M+H-H2O]+ 249.14636 185.2
[M+HCOO]- 311.14730 206.8
[M+CH3COO]- 325.16295 205.7
[M+Na-2H]- 287.12377 195.2
[M]+ 266.14855 195.7
[M]- 266.14965 195.7
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.