CID 64523

1-(5-hydroxyadamantan-2-yl)pyrrolidin-2-one

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

4
Patents

235.15723 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 152.5
[M+Na]+ 258.14645 154.9
[M-H]- 234.14995 148.2
[M+NH4]+ 253.19105 176.9
[M+K]+ 274.12039 150.6
[M+H-H2O]+ 218.15449 145.8
[M+HCOO]- 280.15543 156.5
[M+CH3COO]- 294.17108 160.5
[M+Na-2H]- 256.13190 158.8
[M]+ 235.15668 149.8
[M]- 235.15778 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