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

69
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 147.5
[M+Na]+ 242.15153 149.2
[M-H]- 218.15503 144.4
[M+NH4]+ 237.19613 171.3
[M+K]+ 258.12547 145.3
[M+H-H2O]+ 202.15957 140.8
[M+HCOO]- 264.16051 153.0
[M+CH3COO]- 278.17616 156.0
[M+Na-2H]- 240.13698 153.1
[M]+ 219.16176 144.7
[M]- 219.16286 144.7
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

No patent data available for this compound.