CID 18316187

2344678-63-1

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)C1(CCCOC1)N
InChI
InChI=1S/C7H13NO3/c1-10-6(9)7(8)3-2-4-11-5-7/h2-5,8H2,1H3
InChIKey
RJIKNLGXPWRDKF-UHFFFAOYSA-N
Compound name
methyl 3-aminooxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

159.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.1
[M+Na]+ 182.078758 138.4
[M-H]- 158.082264 136.4
[M+NH4]+ 177.123363 153.7
[M+K]+ 198.052698 139.8
[M+H-H2O]+ 142.086800 128.1
[M+HCOO]- 204.087741 153.3
[M+CH3COO]- 218.103391 175.5
[M+Na-2H]- 180.064206 139.6
[M]+ 159.08899142 130.1
[M]- 159.09008858 130.1
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