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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.