CID 366644

Nsc635319

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C19H29NO3/c1-3-4-16(21)5-12(2)17(22)18(23)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,3-11H2,1-2H3,(H,20,23)
InChIKey
WDNIRTXOFGWTEX-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-3-methyl-2,5-dioxooctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.2
[M+Na]+ 342.20397 178.8
[M-H]- 318.20747 174.4
[M+NH4]+ 337.24857 201.2
[M+K]+ 358.17791 176.4
[M+H-H2O]+ 302.21201 175.1
[M+HCOO]- 364.21295 183.6
[M+CH3COO]- 378.22860 219.3
[M+Na-2H]- 340.18942 185.3
[M]+ 319.21420 181.5
[M]- 319.21530 181.5
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.