CID 2817797

59940-35-1

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)C
InChI
InChI=1S/C14H22N2O2/c1-9(17)15-13-4-11-3-12(5-13)7-14(6-11,8-13)16-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
IDKMCHZWZPAIGE-UHFFFAOYSA-N
Compound name
N-(3-acetamido-1-adamantyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

250.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.175396 158.7
[M+Na]+ 273.157338 159.9
[M-H]- 249.160844 153.4
[M+NH4]+ 268.201943 183.8
[M+K]+ 289.131278 157.5
[M+H-H2O]+ 233.165380 152.8
[M+HCOO]- 295.166321 165.8
[M+CH3COO]- 309.181971 166.3
[M+Na-2H]- 271.142786 169.1
[M]+ 250.16757142 158.0
[M]- 250.16866858 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

literature stripe

Patent stripe

patents stripe