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

669
Patents

246.10765 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.114926 150.1
[M+Na]+ 269.096868 155.6
[M-H]- 245.100374 146.4
[M+NH4]+ 264.141473 160.3
[M+K]+ 285.070808 153.8
[M+H-H2O]+ 229.104910 141.3
[M+HCOO]- 291.105851 169.8
[M+CH3COO]- 305.121501 193.9
[M+Na-2H]- 267.082316 156.9
[M]+ 246.10710142 148.8
[M]- 246.10819858 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