CID 3044150

31016 cb

Structural Information

Molecular Formula
C19H28ClN
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CCCN3CCCC3)Cl
InChI
InChI=1S/C19H28ClN/c20-19-15-16(7-6-14-21-12-4-5-13-21)10-11-18(19)17-8-2-1-3-9-17/h10-11,15,17H,1-9,12-14H2
InChIKey
QQAMVORRZUGQEC-UHFFFAOYSA-N
Compound name
1-[3-(3-chloro-4-cyclohexylphenyl)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.19104 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19832 178.1
[M+Na]+ 328.18026 181.2
[M-H]- 304.18376 184.0
[M+NH4]+ 323.22486 193.5
[M+K]+ 344.15420 174.5
[M+H-H2O]+ 288.18830 168.8
[M+HCOO]- 350.18924 189.5
[M+CH3COO]- 364.20489 186.8
[M+Na-2H]- 326.16571 175.6
[M]+ 305.19049 173.0
[M]- 305.19159 173.0
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