CID 200281

3-phenylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CNCC1(C2=CC=CC=C2)O
InChI
InChI=1S/C10H13NO/c12-10(6-7-11-8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKey
AFQYBBFSDHKQJV-UHFFFAOYSA-N
Compound name
3-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

158
Patents

163.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.6
[M+Na]+ 186.08894 141.9
[M-H]- 162.09244 138.0
[M+NH4]+ 181.13354 156.8
[M+K]+ 202.06288 138.4
[M+H-H2O]+ 146.09698 129.4
[M+HCOO]- 208.09792 155.2
[M+CH3COO]- 222.11357 147.9
[M+Na-2H]- 184.07439 141.3
[M]+ 163.09917 129.7
[M]- 163.10027 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe