CID 64157

Valeramide, n-(1-adamantyl)-

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H25NO/c1-2-3-4-14(17)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKey
KFCIIXFSQAONDL-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.5
[M+Na]+ 258.18284 158.8
[M-H]- 234.18634 153.1
[M+NH4]+ 253.22744 182.7
[M+K]+ 274.15678 155.4
[M+H-H2O]+ 218.19088 152.2
[M+HCOO]- 280.19182 165.1
[M+CH3COO]- 294.20747 165.9
[M+Na-2H]- 256.16829 167.6
[M]+ 235.19307 158.0
[M]- 235.19417 158.0
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

patents stripe