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]+ 206.12878 147.1
[M+Na]+ 228.11072 152.9
[M-H]- 204.11422 148.7
[M+NH4]+ 223.15532 161.9
[M+K]+ 244.08466 148.5
[M+H-H2O]+ 188.11876 138.7
[M+HCOO]- 250.11970 164.8
[M+CH3COO]- 264.13535 184.6
[M+Na-2H]- 226.09617 151.3
[M]+ 205.12095 139.8
[M]- 205.12205 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.