CID 3044146

934 cb

Structural Information

Molecular Formula
C19H30ClN
SMILES
CCN(CC)CCCC1=CC(=C(C=C1)C2CCCCC2)Cl
InChI
InChI=1S/C19H30ClN/c1-3-21(4-2)14-8-9-16-12-13-18(19(20)15-16)17-10-6-5-7-11-17/h12-13,15,17H,3-11,14H2,1-2H3
InChIKey
GVIRUMPAGWYDJL-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-cyclohexylphenyl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.20667 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21395 178.2
[M+Na]+ 330.19589 181.5
[M-H]- 306.19939 184.2
[M+NH4]+ 325.24049 194.1
[M+K]+ 346.16983 176.4
[M+H-H2O]+ 290.20393 170.3
[M+HCOO]- 352.20487 193.4
[M+CH3COO]- 366.22052 212.3
[M+Na-2H]- 328.18134 178.0
[M]+ 307.20612 178.2
[M]- 307.20722 178.2
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

patents stripe