CID 10856631

127641-25-2

Structural Information

Molecular Formula
C13H19NO
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CCCC2
InChI
InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChIKey
FZVHJGJBJLFWEX-AAEUAGOBSA-N
Compound name
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.4
[M+Na]+ 228.13589 159.7
[M+NH4]+ 223.18049 157.8
[M+K]+ 244.10983 155.6
[M-H]- 204.13939 151.9
[M+Na-2H]- 226.12134 155.4
[M]+ 205.14612 151.4
[M]- 205.14722 151.4
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