CID 64523

2-pyrrolidinone, n-(1-hydroxy-4-adamantyl)-

Structural Information

Molecular Formula
C14H21NO2
SMILES
C1CC(=O)N(C1)C2C3CC4CC2CC(C4)(C3)O
InChI
InChI=1S/C14H21NO2/c16-12-2-1-3-15(12)13-10-4-9-5-11(13)8-14(17,6-9)7-10/h9-11,13,17H,1-8H2
InChIKey
ADWGSLZHGLUCNL-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-2-adamantyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.15723 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 152.5
[M+Na]+ 258.146448 154.9
[M-H]- 234.149954 148.2
[M+NH4]+ 253.191053 176.9
[M+K]+ 274.120388 150.6
[M+H-H2O]+ 218.154490 145.8
[M+HCOO]- 280.155431 156.5
[M+CH3COO]- 294.171081 160.5
[M+Na-2H]- 256.131896 158.8
[M]+ 235.15668142 149.8
[M]- 235.15777858 149.8
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