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]+ 214.10739 144.5
[M+Na]+ 236.08933 150.1
[M-H]- 212.09283 150.6
[M+NH4]+ 231.13393 164.4
[M+K]+ 252.06327 151.3
[M+H-H2O]+ 196.09737 140.0
[M+HCOO]- 258.09831 158.2
[M+CH3COO]- 272.11396 156.4
[M+Na-2H]- 234.07478 149.8
[M]+ 213.09956 139.1
[M]- 213.10066 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