CID 17801384

38228-21-6

Structural Information

Molecular Formula
C7H14N6O4
SMILES
C(N(CO)C1=NC(=NC(=N1)N)N(CO)CO)O
InChI
InChI=1S/C7H14N6O4/c8-5-9-6(12(1-14)2-15)11-7(10-5)13(3-16)4-17/h14-17H,1-4H2,(H2,8,9,10,11)
InChIKey
WEAJVJTWVRAPED-UHFFFAOYSA-N
Compound name
[[4-amino-6-[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2091
Patents

246.10765 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.114926 151.0
[M+Na]+ 269.096868 156.7
[M-H]- 245.100374 148.3
[M+NH4]+ 264.141473 161.7
[M+K]+ 285.070808 156.0
[M+H-H2O]+ 229.104910 142.2
[M+HCOO]- 291.105851 170.7
[M+CH3COO]- 305.121501 196.6
[M+Na-2H]- 267.082316 156.1
[M]+ 246.10710142 149.9
[M]- 246.10819858 149.9
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