CID 81542

1,3,5-triazin-2(1h)-one, tetrahydro-

Structural Information

Molecular Formula
C3H7N3O
SMILES
C1NCNC(=O)N1
InChI
InChI=1S/C3H7N3O/c7-3-5-1-4-2-6-3/h4H,1-2H2,(H2,5,6,7)
InChIKey
GZMPNWZNKXKPGC-UHFFFAOYSA-N
Compound name
1,3,5-triazinan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

101.058914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.06619 121.7
[M+Na]+ 124.04813 127.6
[M-H]- 100.05164 116.4
[M+NH4]+ 119.09274 138.2
[M+K]+ 140.02207 124.7
[M+H-H2O]+ 84.056174 114.9
[M+HCOO]- 146.05712 135.7
[M+CH3COO]- 160.07276 156.0
[M+Na-2H]- 122.03358 128.3
[M]+ 101.05837 111.8
[M]- 101.05946 111.8
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