CID 35506

30805-19-7

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC
InChI
InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3
InChIKey
AEPJNZPJFYDQLM-UHFFFAOYSA-N
Compound name
1-[3,5-di(propanoyl)-1,3,5-triazinan-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

255.1583 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 160.9
[M+Na]+ 278.147518 166.2
[M-H]- 254.151024 159.6
[M+NH4]+ 273.192123 173.9
[M+K]+ 294.121458 165.0
[M+H-H2O]+ 238.155560 152.8
[M+HCOO]- 300.156501 174.5
[M+CH3COO]- 314.172151 196.2
[M+Na-2H]- 276.132966 159.8
[M]+ 255.15775142 160.1
[M]- 255.15884858 160.1
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