CID 21303798

1452228-22-6

Structural Information

Molecular Formula
C8H15NO3
SMILES
CNC1(CCOCC1)C(=O)OC
InChI
InChI=1S/C8H15NO3/c1-9-8(7(10)11-2)3-5-12-6-4-8/h9H,3-6H2,1-2H3
InChIKey
MZFPHZXVWPNGET-UHFFFAOYSA-N
Compound name
methyl 4-(methylamino)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.0
[M+Na]+ 196.09442 141.8
[M-H]- 172.09792 140.6
[M+NH4]+ 191.13902 157.3
[M+K]+ 212.06836 143.4
[M+H-H2O]+ 156.10246 131.8
[M+HCOO]- 218.10340 157.5
[M+CH3COO]- 232.11905 179.2
[M+Na-2H]- 194.07987 144.0
[M]+ 173.10465 135.3
[M]- 173.10575 135.3
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