CID 171326011

N-(adamantan-1-yl)-2-chloro-n-ethylacetamide

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CCN(C(=O)CCl)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H22ClNO/c1-2-16(13(17)9-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3
InChIKey
WPMUWNNCOVNLKN-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-chloro-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13899 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 161.8
[M+Na]+ 278.12821 163.4
[M-H]- 254.13171 157.7
[M+NH4]+ 273.17281 186.6
[M+K]+ 294.10215 159.9
[M+H-H2O]+ 238.13625 156.5
[M+HCOO]- 300.13719 165.0
[M+CH3COO]- 314.15284 169.7
[M+Na-2H]- 276.11366 170.0
[M]+ 255.13844 164.1
[M]- 255.13954 164.1
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.