CID 6446316

31015 cb

Structural Information

Molecular Formula
C19H26ClN
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)/C=C/CN3CCCC3)Cl
InChI
InChI=1S/C19H26ClN/c20-19-15-16(7-6-14-21-12-4-5-13-21)10-11-18(19)17-8-2-1-3-9-17/h6-7,10-11,15,17H,1-5,8-9,12-14H2/b7-6+
InChIKey
UHQJFAUBVBVZSF-VOTSOKGWSA-N
Compound name
1-[(E)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.17538 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18266 177.6
[M+Na]+ 326.16460 181.1
[M-H]- 302.16810 183.6
[M+NH4]+ 321.20920 193.1
[M+K]+ 342.13854 173.9
[M+H-H2O]+ 286.17264 168.4
[M+HCOO]- 348.17358 189.3
[M+CH3COO]- 362.18923 186.4
[M+Na-2H]- 324.15005 175.1
[M]+ 303.17483 171.8
[M]- 303.17593 171.8
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