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]+ 256.146266 161.8
[M+Na]+ 278.128208 163.4
[M-H]- 254.131714 157.7
[M+NH4]+ 273.172813 186.6
[M+K]+ 294.102148 159.9
[M+H-H2O]+ 238.136250 156.5
[M+HCOO]- 300.137191 165.0
[M+CH3COO]- 314.152841 169.7
[M+Na-2H]- 276.113656 170.0
[M]+ 255.13844142 164.1
[M]- 255.13953858 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.