CID 458592

Niosh/mu2492700

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(C)OCC1(C(=O)NC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c1-9(2)18-8-13(10-6-4-3-5-7-10)11(16)14-12(17)15-13/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKey
BTLFNHWTEHPEFQ-UHFFFAOYSA-N
Compound name
5-phenyl-5-(propan-2-yloxymethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.1
[M+Na]+ 271.10531 163.1
[M-H]- 247.10881 157.5
[M+NH4]+ 266.14991 172.8
[M+K]+ 287.07925 159.3
[M+H-H2O]+ 231.11335 149.1
[M+HCOO]- 293.11429 173.2
[M+CH3COO]- 307.12994 187.1
[M+Na-2H]- 269.09076 158.0
[M]+ 248.11554 153.5
[M]- 248.11664 153.5
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.