CID 208673

Cb 875

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)C1=C(C=C(C=C1)CCCC(=O)N)Cl
InChI
InChI=1S/C13H18ClNO/c1-9(2)11-7-6-10(8-12(11)14)4-3-5-13(15)16/h6-9H,3-5H2,1-2H3,(H2,15,16)
InChIKey
TWLKBPUFISPONY-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-propan-2-ylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.6
[M+Na]+ 262.09692 166.7
[M+NH4]+ 257.14152 162.7
[M+K]+ 278.07086 159.8
[M-H]- 238.10042 156.9
[M+Na-2H]- 260.08237 159.9
[M]+ 239.10715 157.2
[M]- 239.10825 157.2
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.