CID 83347

13329-69-6

Structural Information

Molecular Formula
C8H16N6O5
SMILES
C(NC1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O
InChI
InChI=1S/C8H16N6O5/c15-1-9-6-10-7(13(2-16)3-17)12-8(11-6)14(4-18)5-19/h15-19H,1-5H2,(H,9,10,11,12)
InChIKey
SYDYRFPJJJPJFE-UHFFFAOYSA-N
Compound name
[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2155
Patents

276.11823 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.125506 156.7
[M+Na]+ 299.107448 161.2
[M-H]- 275.110954 152.9
[M+NH4]+ 294.152053 165.5
[M+K]+ 315.081388 160.5
[M+H-H2O]+ 259.115490 147.6
[M+HCOO]- 321.116431 175.3
[M+CH3COO]- 335.132081 200.3
[M+Na-2H]- 297.092896 162.0
[M]+ 276.11768142 156.5
[M]- 276.11877858 156.5
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