CID 3010156

1-(1-adamantyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CC(=O)N(C1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9H2
InChIKey
MLSPGERYUBJGGP-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

219.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 148.6
[M+Na]+ 242.15153 150.6
[M-H]- 218.15503 145.4
[M+NH4]+ 237.19613 174.0
[M+K]+ 258.12547 146.4
[M+H-H2O]+ 202.15957 141.0
[M+HCOO]- 264.16051 154.0
[M+CH3COO]- 278.17616 157.0
[M+Na-2H]- 240.13698 155.4
[M]+ 219.16176 145.6
[M]- 219.16286 145.6
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.