CID 4961822

276886-84-1

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CN(C1CCCC2=CC=CC=C12)C(=O)CCl
InChI
InChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKey
FLTYMFJRZLOGIY-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 152.1
[M+Na]+ 260.08126 158.2
[M-H]- 236.08476 157.1
[M+NH4]+ 255.12586 172.0
[M+K]+ 276.05520 154.8
[M+H-H2O]+ 220.08930 146.3
[M+HCOO]- 282.09024 168.7
[M+CH3COO]- 296.10589 196.0
[M+Na-2H]- 258.06671 156.6
[M]+ 237.09149 152.4
[M]- 237.09259 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.