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

169
Patents

157.1215 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 136.5
[M+Na]+ 180.110718 141.6
[M-H]- 156.114224 134.6
[M+NH4]+ 175.155323 153.3
[M+K]+ 196.084658 139.2
[M+H-H2O]+ 140.118760 129.2
[M+HCOO]- 202.119701 154.0
[M+CH3COO]- 216.135351 175.6
[M+Na-2H]- 178.096166 140.7
[M]+ 157.12095142 129.8
[M]- 157.12204858 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