CID 3074633

160455-70-9

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)C1=NN(C(=O)N1CC2CO2)CC3CO3
InChI
InChI=1S/C11H17N3O3/c1-7(2)10-12-14(4-9-6-17-9)11(15)13(10)3-8-5-16-8/h7-9H,3-6H2,1-2H3
InChIKey
NCUJZPXJVIWNMT-UHFFFAOYSA-N
Compound name
2,4-bis(oxiran-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 175.1
[M+Na]+ 262.11622 184.8
[M-H]- 238.11972 182.5
[M+NH4]+ 257.16082 177.8
[M+K]+ 278.09016 182.7
[M+H-H2O]+ 222.12426 166.9
[M+HCOO]- 284.12520 190.8
[M+CH3COO]- 298.14085 203.3
[M+Na-2H]- 260.10167 174.7
[M]+ 239.12645 182.9
[M]- 239.12755 182.9
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.