CID 53965793

Hmmm tp245

Structural Information

Molecular Formula
C8H16N6O3
SMILES
COCN(COC)C1=NC(=NC(=N1)NCO)N
InChI
InChI=1S/C8H16N6O3/c1-16-4-14(5-17-2)8-12-6(9)11-7(13-8)10-3-15/h15H,3-5H2,1-2H3,(H3,9,10,11,12,13)
InChIKey
JOCMJNZFQXOCOZ-UHFFFAOYSA-N
Compound name
[[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

244.12839 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.135666 152.4
[M+Na]+ 267.117608 158.9
[M-H]- 243.121114 152.0
[M+NH4]+ 262.162213 164.7
[M+K]+ 283.091548 158.4
[M+H-H2O]+ 227.125650 142.9
[M+HCOO]- 289.126591 175.5
[M+CH3COO]- 303.142241 200.7
[M+Na-2H]- 265.103056 159.0
[M]+ 244.12784142 154.6
[M]- 244.12893858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe