CID 135408770

Ammeline

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1(=NC(=NC(=O)N1)N)N
InChI
InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
InChIKey
MASBWURJQFFLOO-UHFFFAOYSA-N
Compound name
4,6-diamino-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

7492
Patents

127.04941 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05669 123.0
[M+Na]+ 150.03863 133.2
[M-H]- 126.04213 121.5
[M+NH4]+ 145.08323 139.7
[M+K]+ 166.01257 130.2
[M+H-H2O]+ 110.04667 115.7
[M+HCOO]- 172.04761 145.2
[M+CH3COO]- 186.06326 171.2
[M+Na-2H]- 148.02408 131.0
[M]+ 127.04886 118.4
[M]- 127.04996 118.4
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