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

150
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 136.5
[M+Na]+ 180.11072 141.6
[M-H]- 156.11422 134.6
[M+NH4]+ 175.15532 153.3
[M+K]+ 196.08466 139.2
[M+H-H2O]+ 140.11876 129.2
[M+HCOO]- 202.11970 154.0
[M+CH3COO]- 216.13535 175.6
[M+Na-2H]- 178.09617 140.7
[M]+ 157.12095 129.8
[M]- 157.12205 129.8
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