CID 3051576

67466-55-1

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCOC1=CC=C(C=C1)C2(CCNC2C)O
InChI
InChI=1S/C13H19NO2/c1-3-16-12-6-4-11(5-7-12)13(15)8-9-14-10(13)2/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKey
ULHDWZFKTGEOPS-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.0
[M+Na]+ 244.130808 157.9
[M-H]- 220.134314 153.7
[M+NH4]+ 239.175413 170.6
[M+K]+ 260.104748 154.2
[M+H-H2O]+ 204.138850 144.8
[M+HCOO]- 266.139791 169.8
[M+CH3COO]- 280.155441 183.0
[M+Na-2H]- 242.116256 154.0
[M]+ 221.14104142 148.5
[M]- 221.14213858 148.5
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.