CID 61639854

1-[4-(aminomethyl)phenyl]-1,3-diazinan-2-one hydrochloride

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CNC(=O)N(C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H15N3O/c12-8-9-2-4-10(5-3-9)14-7-1-6-13-11(14)15/h2-5H,1,6-8,12H2,(H,13,15)
InChIKey
VWXQJZPXBUAUMY-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 147.1
[M+Na]+ 228.110718 152.9
[M-H]- 204.114224 148.7
[M+NH4]+ 223.155323 161.9
[M+K]+ 244.084658 148.5
[M+H-H2O]+ 188.118760 138.7
[M+HCOO]- 250.119701 164.8
[M+CH3COO]- 264.135351 184.6
[M+Na-2H]- 226.096166 151.3
[M]+ 205.12095142 139.8
[M]- 205.12204858 139.8
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

No patent data available for this compound.