CID 6446312

31004 cb

Structural Information

Molecular Formula
C17H24ClN
SMILES
CN(C)C/C=C/C1=CC(=C(C=C1)C2CCCCC2)Cl
InChI
InChI=1S/C17H24ClN/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3/b7-6+
InChIKey
KYTFNQMZJPRREC-VOTSOKGWSA-N
Compound name
(E)-3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.15973 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16701 168.1
[M+Na]+ 300.14895 172.7
[M-H]- 276.15245 174.6
[M+NH4]+ 295.19355 185.3
[M+K]+ 316.12289 167.4
[M+H-H2O]+ 260.15699 160.8
[M+HCOO]- 322.15793 184.2
[M+CH3COO]- 336.17358 204.8
[M+Na-2H]- 298.13440 169.0
[M]+ 277.15918 166.6
[M]- 277.16028 166.6
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