CID 135763

Etma resin

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CC1=NN(C(=O)N1CC2CO2)CC3CO3
InChI
InChI=1S/C9H13N3O3/c1-6-10-12(3-8-5-15-8)9(13)11(6)2-7-4-14-7/h7-8H,2-5H2,1H3
InChIKey
JEACHLMQCZGTIH-UHFFFAOYSA-N
Compound name
5-methyl-2,4-bis(oxiran-2-ylmethyl)-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

211.09569 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 169.5
[M+Na]+ 234.08491 180.1
[M-H]- 210.08841 177.0
[M+NH4]+ 229.12951 173.2
[M+K]+ 250.05885 178.1
[M+H-H2O]+ 194.09295 161.3
[M+HCOO]- 256.09389 186.4
[M+CH3COO]- 270.10954 197.7
[M+Na-2H]- 232.07036 170.6
[M]+ 211.09514 177.1
[M]- 211.09624 177.1
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

No patent data available for this compound.