CID 3058307

1-pyrrolidinemethanol, 2(hydroxyphenylmethyl)-, (s-(r*,r*))-

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1C[C@H](N(C1)CCO)[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO2/c15-10-9-14-8-4-7-12(14)13(16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-16H,4,7-10H2/t12-,13-/m0/s1
InChIKey
DOZYXEDPSCDJCQ-STQMWFEESA-N
Compound name
2-[(2S)-2-[(S)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.1
[M+Na]+ 244.13081 156.6
[M-H]- 220.13431 154.0
[M+NH4]+ 239.17541 169.1
[M+K]+ 260.10475 153.2
[M+H-H2O]+ 204.13885 144.9
[M+HCOO]- 266.13979 169.8
[M+CH3COO]- 280.15544 183.1
[M+Na-2H]- 242.11626 153.3
[M]+ 221.14104 148.1
[M]- 221.14214 148.1
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.