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]+ 252.114976 156.9
[M+Na]+ 274.096918 162.2
[M-H]- 250.100424 160.3
[M+NH4]+ 269.141523 175.5
[M+K]+ 290.070858 157.6
[M+H-H2O]+ 234.104960 151.2
[M+HCOO]- 296.105901 171.7
[M+CH3COO]- 310.121551 196.5
[M+Na-2H]- 272.082366 160.4
[M]+ 251.10715142 155.8
[M]- 251.10824858 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.