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]+ 192.138286 144.0
[M+Na]+ 214.120228 150.5
[M-H]- 190.123734 146.5
[M+NH4]+ 209.164833 164.5
[M+K]+ 230.094168 146.4
[M+H-H2O]+ 174.128270 137.8
[M+HCOO]- 236.129211 163.0
[M+CH3COO]- 250.144861 176.7
[M+Na-2H]- 212.105676 148.1
[M]+ 191.13046142 139.2
[M]- 191.13155858 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.