CID 70300

937-35-9

Structural Information

Molecular Formula
C4H8N6O
SMILES
C(NC1=NC(=NC(=N1)N)N)O
InChI
InChI=1S/C4H8N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h11H,1H2,(H5,5,6,7,8,9,10)
InChIKey
MBHRHUJRKGNOKX-UHFFFAOYSA-N
Compound name
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26501
Patents

156.07596 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08324 130.5
[M+Na]+ 179.06518 139.1
[M-H]- 155.06868 128.9
[M+NH4]+ 174.10978 145.7
[M+K]+ 195.03912 136.5
[M+H-H2O]+ 139.07322 122.6
[M+HCOO]- 201.07416 153.4
[M+CH3COO]- 215.08981 180.4
[M+Na-2H]- 177.05063 138.6
[M]+ 156.07541 126.3
[M]- 156.07651 126.3
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