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]+ 240.134276 175.1
[M+Na]+ 262.116218 184.8
[M-H]- 238.119724 182.5
[M+NH4]+ 257.160823 177.8
[M+K]+ 278.090158 182.7
[M+H-H2O]+ 222.124260 166.9
[M+HCOO]- 284.125201 190.8
[M+CH3COO]- 298.140851 203.3
[M+Na-2H]- 260.101666 174.7
[M]+ 239.12645142 182.9
[M]- 239.12754858 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.