CID 2145

Aminoglutethimide

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKey
ROBVIMPUHSLWNV-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1700
References

104757
Patents

232.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.8
[M+Na]+ 255.110408 159.8
[M-H]- 231.113914 156.3
[M+NH4]+ 250.155013 170.1
[M+K]+ 271.084348 155.6
[M+H-H2O]+ 215.118450 145.8
[M+HCOO]- 277.119391 171.6
[M+CH3COO]- 291.135041 190.0
[M+Na-2H]- 253.095856 156.4
[M]+ 232.12064142 147.2
[M]- 232.12173858 147.2
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

patents stripe