CID 199825

5075-96-7

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CC(CC=C1)C2CC(CN2)(C3=CC=CC=C3)O
InChI
InChI=1S/C16H21NO/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13/h1-3,5-6,9-10,13,15,17-18H,4,7-8,11-12H2
InChIKey
JRBJNPHCBAGMAI-UHFFFAOYSA-N
Compound name
5-cyclohex-3-en-1-yl-3-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 158.8
[M+Na]+ 266.151528 162.8
[M-H]- 242.155034 163.5
[M+NH4]+ 261.196133 176.4
[M+K]+ 282.125468 157.5
[M+H-H2O]+ 226.159570 150.8
[M+HCOO]- 288.160511 174.9
[M+CH3COO]- 302.176161 168.7
[M+Na-2H]- 264.136976 160.7
[M]+ 243.16176142 149.9
[M]- 243.16285858 149.9
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.