CID 146037143

Pre-mycofactocinone

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1(C(NC(=O)C1=O)CC2=CC=C(C=C2)O)C
InChI
InChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17)
InChIKey
MNKCCFOQDGJSLR-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.7
[M+Na]+ 256.09442 163.9
[M+NH4]+ 251.13902 160.7
[M+K]+ 272.06836 158.6
[M-H]- 232.09792 153.8
[M+Na-2H]- 254.07987 158.4
[M]+ 233.10465 154.5
[M]- 233.10575 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.