CID 3044148

31012 cb

Structural Information

Molecular Formula
C17H26ClN
SMILES
CN(C)CCCC1=CC(=C(C=C1)C2CCCCC2)Cl
InChI
InChI=1S/C17H26ClN/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15/h10-11,13,15H,3-9,12H2,1-2H3
InChIKey
OLDZLPSYIBAQMJ-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.17538 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18266 169.0
[M+Na]+ 302.16460 173.2
[M-H]- 278.16810 175.4
[M+NH4]+ 297.20920 186.1
[M+K]+ 318.13854 168.5
[M+H-H2O]+ 262.17264 161.6
[M+HCOO]- 324.17358 184.9
[M+CH3COO]- 338.18923 206.3
[M+Na-2H]- 300.15005 169.9
[M]+ 279.17483 168.3
[M]- 279.17593 168.3
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