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]+ 239.139016 160.9
[M+Na]+ 261.120958 169.9
[M-H]- 237.124464 167.8
[M+NH4]+ 256.165563 173.8
[M+K]+ 277.094898 167.9
[M+H-H2O]+ 221.129000 153.8
[M+HCOO]- 283.129941 176.4
[M+CH3COO]- 297.145591 192.6
[M+Na-2H]- 259.106406 162.4
[M]+ 238.13119142 160.9
[M]- 238.13228858 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.