CID 64498

N-(2-adamantyl)acetamide hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(=O)NC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C12H19NO/c1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,13,14)
InChIKey
OFEZUSBZKMXQEU-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

193.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 143.5
[M+Na]+ 216.135888 144.8
[M-H]- 192.139394 138.9
[M+NH4]+ 211.180493 167.8
[M+K]+ 232.109828 142.5
[M+H-H2O]+ 176.143930 138.3
[M+HCOO]- 238.144871 151.4
[M+CH3COO]- 252.160521 152.4
[M+Na-2H]- 214.121336 153.0
[M]+ 193.14612142 142.3
[M]- 193.14721858 142.3
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