CID 12881

Brn 0800121

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CN1C(=O)N(C(=O)C12CCCCC2)CC3CO3
InChI
InChI=1S/C12H18N2O3/c1-13-11(16)14(7-9-8-17-9)10(15)12(13)5-3-2-4-6-12/h9H,2-8H2,1H3
InChIKey
IJMYTDWUOOSCAS-UHFFFAOYSA-N
Compound name
1-methyl-3-(oxiran-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 160.9
[M+Na]+ 261.12096 169.9
[M-H]- 237.12446 167.8
[M+NH4]+ 256.16556 173.8
[M+K]+ 277.09490 167.9
[M+H-H2O]+ 221.12900 153.8
[M+HCOO]- 283.12994 176.4
[M+CH3COO]- 297.14559 192.6
[M+Na-2H]- 259.10641 162.4
[M]+ 238.13119 160.9
[M]- 238.13229 160.9
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

No patent data available for this compound.