CID 28064014

3-(2-aminoethyl)-1,3-oxazinan-2-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CN(C(=O)OC1)CCN
InChI
InChI=1S/C6H12N2O2/c7-2-4-8-3-1-5-10-6(8)9/h1-5,7H2
InChIKey
FTQJIMMAQDHBRD-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

144.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 130.0
[M+Na]+ 167.079088 135.9
[M-H]- 143.082594 131.9
[M+NH4]+ 162.123693 148.1
[M+K]+ 183.053028 136.2
[M+H-H2O]+ 127.087130 123.4
[M+HCOO]- 189.088071 150.0
[M+CH3COO]- 203.103721 174.4
[M+Na-2H]- 165.064536 136.2
[M]+ 144.08932142 126.4
[M]- 144.09041858 126.4
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