CID 4271592

N-(adamantan-1-yl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C15H25NO
SMILES
CC(C)(C)C(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H25NO/c1-14(2,3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKey
ANZPVMVVRHNTHS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
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 162.1
[M+Na]+ 258.18284 162.8
[M-H]- 234.18634 156.9
[M+NH4]+ 253.22744 186.5
[M+K]+ 274.15678 160.1
[M+H-H2O]+ 218.19088 156.7
[M+HCOO]- 280.19182 167.1
[M+CH3COO]- 294.20747 169.6
[M+Na-2H]- 256.16829 171.9
[M]+ 235.19307 161.3
[M]- 235.19417 161.3
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