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
2
Annotation Hits

0
References

43
Patents

280.1423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 181.1
[M+Na]+ 303.131518 187.8
[M-H]- 279.135024 190.1
[M+NH4]+ 298.176123 184.7
[M+K]+ 319.105458 188.0
[M+H-H2O]+ 263.139560 174.4
[M+HCOO]- 325.140501 192.2
[M+CH3COO]- 339.156151 188.7
[M+Na-2H]- 301.116966 180.1
[M]+ 280.14175142 183.9
[M]- 280.14284858 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