CID 61350584

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

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CN(C(=O)OC1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H14N2O2/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14/h2-5H,1,6-8,12H2
InChIKey
UJWDWDOPAZMMAI-UHFFFAOYSA-N
Compound name
3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.6
[M+Na]+ 229.094748 151.8
[M-H]- 205.098254 150.7
[M+NH4]+ 224.139353 161.1
[M+K]+ 245.068688 150.0
[M+H-H2O]+ 189.102790 137.6
[M+HCOO]- 251.103731 165.5
[M+CH3COO]- 265.119381 186.5
[M+Na-2H]- 227.080196 151.0
[M]+ 206.10498142 141.7
[M]- 206.10607858 141.7
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.