CID 477698

16808-41-6

Structural Information

Molecular Formula
C18H19NO2
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C18H19NO2/c20-16-14-3-1-2-4-15(14)17(21)19(16)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2
InChIKey
NNPFLBWYAZEFOL-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

281.14157 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 159.4
[M+Na]+ 304.130788 163.1
[M-H]- 280.134294 157.6
[M+NH4]+ 299.175393 183.1
[M+K]+ 320.104728 157.4
[M+H-H2O]+ 264.138830 150.4
[M+HCOO]- 326.139771 164.5
[M+CH3COO]- 340.155421 167.5
[M+Na-2H]- 302.116236 166.4
[M]+ 281.14102142 158.9
[M]- 281.14211858 158.9
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