CID 146036956

Chebi:150864

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1(C(NC(=O)C1=N)CC2=CC=C(C=C2)O)C
InChI
InChI=1S/C13H16N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10,14,16H,7H2,1-2H3,(H,15,17)
InChIKey
RMXPIGPTRDTXGT-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.4
[M+Na]+ 255.11041 159.8
[M-H]- 231.11391 154.9
[M+NH4]+ 250.15501 170.6
[M+K]+ 271.08435 154.9
[M+H-H2O]+ 215.11845 145.7
[M+HCOO]- 277.11939 171.6
[M+CH3COO]- 291.13504 188.9
[M+Na-2H]- 253.09586 153.7
[M]+ 232.12064 147.6
[M]- 232.12174 147.6
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.