CID 25151887

Rac-(2r,3r)-2-phenylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CN[C@@H]([C@@H]1O)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m1/s1
InChIKey
HSZMIBUQZHPGSX-NXEZZACHSA-N
Compound name
(2R,3R)-2-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.0
[M+Na]+ 186.08894 141.3
[M-H]- 162.09244 137.4
[M+NH4]+ 181.13354 154.5
[M+K]+ 202.06288 137.6
[M+H-H2O]+ 146.09698 128.5
[M+HCOO]- 208.09792 154.5
[M+CH3COO]- 222.11357 147.2
[M+Na-2H]- 184.07439 139.0
[M]+ 163.09917 129.2
[M]- 163.10027 129.2
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

patents stripe