CID 4962355

2-chloro-n-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CCl
InChI
InChI=1S/C14H18ClNO/c1-10(16-14(17)9-15)12-7-6-11-4-2-3-5-13(11)8-12/h6-8,10H,2-5,9H2,1H3,(H,16,17)
InChIKey
SAVUWIQTERSJFT-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 156.9
[M+Na]+ 274.09692 162.2
[M-H]- 250.10042 160.3
[M+NH4]+ 269.14152 175.5
[M+K]+ 290.07086 157.6
[M+H-H2O]+ 234.10496 151.2
[M+HCOO]- 296.10590 171.7
[M+CH3COO]- 310.12155 196.5
[M+Na-2H]- 272.08237 160.4
[M]+ 251.10715 155.8
[M]- 251.10825 155.8
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.