CID 369145

Nsc640731

Structural Information

Molecular Formula
C17H24N2O4
SMILES
COC(=O)N1CC(C(=O)C1)C(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H24N2O4/c1-23-16(22)19-8-13(14(20)9-19)15(21)18-17-5-10-2-11(6-17)4-12(3-10)7-17/h10-13H,2-9H2,1H3,(H,18,21)
InChIKey
IDHGPGHPEIHIRE-UHFFFAOYSA-N
Compound name
methyl 3-(1-adamantylcarbamoyl)-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 170.0
[M+Na]+ 343.16282 170.1
[M-H]- 319.16632 166.0
[M+NH4]+ 338.20742 190.9
[M+K]+ 359.13676 167.6
[M+H-H2O]+ 303.17086 163.3
[M+HCOO]- 365.17180 173.8
[M+CH3COO]- 379.18745 176.4
[M+Na-2H]- 341.14827 174.8
[M]+ 320.17305 169.5
[M]- 320.17415 169.5
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.