CID 199823

5075-95-6

Structural Information

Molecular Formula
C16H20ClNO
SMILES
C1CC(CC=C1)C2CC(CN2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H20ClNO/c17-14-8-6-13(7-9-14)16(19)10-15(18-11-16)12-4-2-1-3-5-12/h1-2,6-9,12,15,18-19H,3-5,10-11H2
InChIKey
GZJJHASAHVLXDM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12335 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.130626 165.7
[M+Na]+ 300.112568 171.4
[M-H]- 276.116074 170.6
[M+NH4]+ 295.157173 183.1
[M+K]+ 316.086508 164.3
[M+H-H2O]+ 260.120610 158.4
[M+HCOO]- 322.121551 177.2
[M+CH3COO]- 336.137201 175.5
[M+Na-2H]- 298.098016 166.4
[M]+ 277.12280142 159.4
[M]- 277.12389858 159.4
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.