CID 207073

29122-58-5

Structural Information

Molecular Formula
C18H28ClNO
SMILES
CCC(C)C(CN1CCCC1)C2=C(C=CC(=C2)Cl)OCC
InChI
InChI=1S/C18H28ClNO/c1-4-14(3)17(13-20-10-6-7-11-20)16-12-15(19)8-9-18(16)21-5-2/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3
InChIKey
KFCXWGVCTPCYRF-UHFFFAOYSA-N
Compound name
1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18594 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19322 178.0
[M+Na]+ 332.17516 182.8
[M-H]- 308.17866 182.1
[M+NH4]+ 327.21976 194.0
[M+K]+ 348.14910 177.9
[M+H-H2O]+ 292.18320 170.3
[M+HCOO]- 354.18414 191.1
[M+CH3COO]- 368.19979 206.8
[M+Na-2H]- 330.16061 174.9
[M]+ 309.18539 179.9
[M]- 309.18649 179.9
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

No patent data available for this compound.