CID 5276209

N-(3,5-dimethyl-1-adamantyl)acetamide

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(=O)NC12CC3CC(C1)(CC(C3)(C2)C)C
InChI
InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
InChIKey
WVIRSYCDAYUOMJ-UHFFFAOYSA-N
Compound name
N-(3,5-dimethyl-1-adamantyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

221.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 156.3
[M+Na]+ 244.16718 159.6
[M-H]- 220.17068 151.8
[M+NH4]+ 239.21178 184.9
[M+K]+ 260.14112 156.1
[M+H-H2O]+ 204.17522 149.7
[M+HCOO]- 266.17616 163.0
[M+CH3COO]- 280.19181 164.9
[M+Na-2H]- 242.15263 167.3
[M]+ 221.17741 156.4
[M]- 221.17851 156.4
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