CID 86819

2-(adamantan-1-yl)acetamide

Structural Information

Molecular Formula
C12H19NO
SMILES
C1C2CC3CC1CC(C2)(C3)CC(=O)N
InChI
InChI=1S/C12H19NO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)
InChIKey
BWHDTKLVHSIHSQ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

259
Patents

193.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 146.0
[M+Na]+ 216.135888 147.6
[M-H]- 192.139394 140.7
[M+NH4]+ 211.180493 171.6
[M+K]+ 232.109828 144.6
[M+H-H2O]+ 176.143930 140.3
[M+HCOO]- 238.144871 153.0
[M+CH3COO]- 252.160521 154.5
[M+Na-2H]- 214.121336 155.7
[M]+ 193.14612142 143.9
[M]- 193.14721858 143.9
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