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]+ 220.169586 148.6
[M+Na]+ 242.151528 150.6
[M-H]- 218.155034 145.4
[M+NH4]+ 237.196133 174.0
[M+K]+ 258.125468 146.4
[M+H-H2O]+ 202.159570 141.0
[M+HCOO]- 264.160511 154.0
[M+CH3COO]- 278.176161 157.0
[M+Na-2H]- 240.136976 155.4
[M]+ 219.16176142 145.6
[M]- 219.16285858 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

literature stripe

Patent stripe

patents stripe