CID 42929452

3-chloro-n-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1CC(C2=CC=CC=C2C1)NC(=O)CCCl
InChI
InChI=1S/C13H16ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,15,16)
InChIKey
XXBNQGPXUWOBMS-UHFFFAOYSA-N
Compound name
3-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 151.5
[M+Na]+ 260.08126 164.0
[M+NH4]+ 255.12586 161.1
[M+K]+ 276.05520 155.8
[M-H]- 236.08476 155.0
[M+Na-2H]- 258.06671 157.7
[M]+ 237.09149 154.5
[M]- 237.09259 154.5
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

patents stripe