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]+ 174.112476 137.0
[M+Na]+ 196.094418 141.8
[M-H]- 172.097924 140.6
[M+NH4]+ 191.139023 157.3
[M+K]+ 212.068358 143.4
[M+H-H2O]+ 156.102460 131.8
[M+HCOO]- 218.103401 157.5
[M+CH3COO]- 232.119051 179.2
[M+Na-2H]- 194.079866 144.0
[M]+ 173.10465142 135.3
[M]- 173.10574858 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