CID 11171152

1-phenylpyrrolidin-3-ol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CN(CC1O)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c12-10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
CFOXGLLEGVOLKT-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

163.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.4
[M+Na]+ 186.08894 141.1
[M-H]- 162.09244 138.2
[M+NH4]+ 181.13354 154.7
[M+K]+ 202.06288 138.4
[M+H-H2O]+ 146.09698 127.7
[M+HCOO]- 208.09792 155.5
[M+CH3COO]- 222.11357 173.7
[M+Na-2H]- 184.07439 138.9
[M]+ 163.09917 130.4
[M]- 163.10027 130.4
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