CID 64477

2-pyrrolidinone, n-(2-adamantyl)-

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CC(=O)N(C1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,1-8H2
InChIKey
ZTEHUANDSXDAIP-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 147.9
[M+Na]+ 242.15153 157.1
[M+NH4]+ 237.19613 159.8
[M+K]+ 258.12547 151.2
[M-H]- 218.15503 147.3
[M+Na-2H]- 240.13698 143.8
[M]+ 219.16176 148.9
[M]- 219.16286 148.9
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