CID 11040953

1-(3-aminopropyl)-1,3-diazinan-2-one

Structural Information

Molecular Formula
C7H15N3O
SMILES
C1CNC(=O)N(C1)CCCN
InChI
InChI=1S/C7H15N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h1-6,8H2,(H,9,11)
InChIKey
HQXKCSSNQJUVML-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

157.1215 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.12878 135.5
[M+Na]+ 180.11072 144.4
[M+NH4]+ 175.15532 142.3
[M+K]+ 196.08466 139.4
[M-H]- 156.11422 135.5
[M+Na-2H]- 178.09617 138.9
[M]+ 157.12095 136.3
[M]- 157.12205 136.3
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