CID 74617

Dimethylol(hydroxyethyl)triazone

Structural Information

Molecular Formula
C7H15N3O4
SMILES
C1N(CN(C(=O)N1CO)CO)CCO
InChI
InChI=1S/C7H15N3O4/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2
InChIKey
PGGPMGYZMXPCOB-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

205.10626 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11354 146.9
[M+Na]+ 228.09548 153.6
[M-H]- 204.09898 142.1
[M+NH4]+ 223.14008 160.0
[M+K]+ 244.06942 151.2
[M+H-H2O]+ 188.10352 139.7
[M+HCOO]- 250.10446 160.2
[M+CH3COO]- 264.12011 178.3
[M+Na-2H]- 226.08093 149.4
[M]+ 205.10571 144.0
[M]- 205.10681 144.0
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