CID 85829

1,3-bis(oxiranylmethyl)-5,5-pentamethylenehydantoin

Structural Information

Molecular Formula
C14H20N2O4
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2CC3CO3)CC4CO4
InChI
InChI=1S/C14H20N2O4/c17-12-14(4-2-1-3-5-14)16(7-11-9-20-11)13(18)15(12)6-10-8-19-10/h10-11H,1-9H2
InChIKey
MHVHSPJEOYGUMB-UHFFFAOYSA-N
Compound name
1,3-bis(oxiran-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

280.1423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 181.1
[M+Na]+ 303.13152 187.8
[M-H]- 279.13502 190.1
[M+NH4]+ 298.17612 184.7
[M+K]+ 319.10546 188.0
[M+H-H2O]+ 263.13956 174.4
[M+HCOO]- 325.14050 192.2
[M+CH3COO]- 339.15615 188.7
[M+Na-2H]- 301.11697 180.1
[M]+ 280.14175 183.9
[M]- 280.14285 183.9
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

patents stripe