CID 64243

Propionamide, n-(1-adamantyl)-3-chloro-

Structural Information

Molecular Formula
C13H20ClNO
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CCCl
InChI
InChI=1S/C13H20ClNO/c14-2-1-12(16)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,15,16)
InChIKey
SHWIIKLJYCCNSU-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.12334 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.130616 156.4
[M+Na]+ 264.112558 158.6
[M-H]- 240.116064 151.4
[M+NH4]+ 259.157163 181.4
[M+K]+ 280.086498 154.1
[M+H-H2O]+ 224.120600 151.7
[M+HCOO]- 286.121541 159.7
[M+CH3COO]- 300.137191 164.5
[M+Na-2H]- 262.098006 166.1
[M]+ 241.12279142 157.5
[M]- 241.12388858 157.5
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

patents stripe