CID 87169

17600-13-4

Structural Information

Molecular Formula
C7H14N6O4
SMILES
C(NC1=NC(=NC(=N1)N(CO)CO)NCO)O
InChI
InChI=1S/C7H14N6O4/c14-1-8-5-10-6(9-2-15)12-7(11-5)13(3-16)4-17/h14-17H,1-4H2,(H2,8,9,10,11,12)
InChIKey
ZHMXFGZXNLJXRI-UHFFFAOYSA-N
Compound name
[[4-[bis(hydroxymethyl)amino]-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

659
Patents

246.10765 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11493 150.1
[M+Na]+ 269.09687 155.6
[M-H]- 245.10037 146.4
[M+NH4]+ 264.14147 160.3
[M+K]+ 285.07081 153.8
[M+H-H2O]+ 229.10491 141.3
[M+HCOO]- 291.10585 169.8
[M+CH3COO]- 305.12150 193.9
[M+Na-2H]- 267.08232 156.9
[M]+ 246.10710 148.8
[M]- 246.10820 148.8
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