CID 3051578

67466-56-2

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC1CC(CN1)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO/c1-2-11-8-12(14,9-13-11)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3
InChIKey
WJAYUVXKOGCJKS-UHFFFAOYSA-N
Compound name
5-ethyl-3-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.0
[M+Na]+ 214.12023 150.5
[M-H]- 190.12373 146.5
[M+NH4]+ 209.16483 164.5
[M+K]+ 230.09417 146.4
[M+H-H2O]+ 174.12827 137.8
[M+HCOO]- 236.12921 163.0
[M+CH3COO]- 250.14486 176.7
[M+Na-2H]- 212.10568 148.1
[M]+ 191.13046 139.2
[M]- 191.13156 139.2
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.