CID 22975582

1,9,12-trioxa-3-azadispiro[4.2.4^{8}.2^{5}]tetradecan-2-one

Structural Information

Molecular Formula
C10H15NO4
SMILES
C1CC2(CCC13CNC(=O)O3)OCCO2
InChI
InChI=1S/C10H15NO4/c12-8-11-7-9(15-8)1-3-10(4-2-9)13-5-6-14-10/h1-7H2,(H,11,12)
InChIKey
IDGSNIMTQKWENO-UHFFFAOYSA-N
Compound name
4,9,12-trioxa-2-azadispiro[4.2.48.25]tetradecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.10011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 144.5
[M+Na]+ 236.089328 150.1
[M-H]- 212.092834 150.6
[M+NH4]+ 231.133933 164.4
[M+K]+ 252.063268 151.3
[M+H-H2O]+ 196.097370 140.0
[M+HCOO]- 258.098311 158.2
[M+CH3COO]- 272.113961 156.4
[M+Na-2H]- 234.074776 149.8
[M]+ 213.09956142 139.1
[M]- 213.10065858 139.1
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