CID 64157442

5-(3-methoxyphenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=CC=CC(=C1)C2CC(CN2)O
InChI
InChI=1S/C11H15NO2/c1-14-10-4-2-3-8(5-10)11-6-9(13)7-12-11/h2-5,9,11-13H,6-7H2,1H3
InChIKey
HETQUNFAIBRTRW-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.4
[M+Na]+ 216.099498 149.1
[M-H]- 192.103004 145.1
[M+NH4]+ 211.144103 161.0
[M+K]+ 232.073438 145.7
[M+H-H2O]+ 176.107540 135.8
[M+HCOO]- 238.108481 161.8
[M+CH3COO]- 252.124131 177.4
[M+Na-2H]- 214.084946 145.2
[M]+ 193.10973142 138.8
[M]- 193.11082858 138.8
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.