CID 177546115

Hydroxy-methyl-cyromazine

Structural Information

Molecular Formula
C7H12N6O
SMILES
C1CC1NC2=NC(=NC(=N2)NCO)N
InChI
InChI=1S/C7H12N6O/c8-5-11-6(9-3-14)13-7(12-5)10-4-1-2-4/h4,14H,1-3H2,(H4,8,9,10,11,12,13)
InChIKey
ZUXDLRKSIHOLBL-UHFFFAOYSA-N
Compound name
[[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.10725 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11453 145.7
[M+Na]+ 219.09647 155.1
[M-H]- 195.09997 148.2
[M+NH4]+ 214.14107 155.0
[M+K]+ 235.07041 149.6
[M+H-H2O]+ 179.10451 137.2
[M+HCOO]- 241.10545 169.0
[M+CH3COO]- 255.12110 191.5
[M+Na-2H]- 217.08192 153.4
[M]+ 196.10670 144.9
[M]- 196.10780 144.9
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

No patent data available for this compound.