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]+ 244.16959 158.8
[M+Na]+ 266.15153 162.8
[M-H]- 242.15503 163.5
[M+NH4]+ 261.19613 176.4
[M+K]+ 282.12547 157.5
[M+H-H2O]+ 226.15957 150.8
[M+HCOO]- 288.16051 174.9
[M+CH3COO]- 302.17616 168.7
[M+Na-2H]- 264.13698 160.7
[M]+ 243.16176 149.9
[M]- 243.16286 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.