CID 3048307

Brn 1461039

Structural Information

Molecular Formula
C15H15NO
SMILES
C1[C@@H]([C@H]1[C@@H](C2=CN=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C15H15NO/c17-15(12-7-4-8-16-10-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-15,17H,9H2/t13-,14+,15-/m1/s1
InChIKey
XSRKDWMLXICUMM-QLFBSQMISA-N
Compound name
(S)-[(1S,2S)-2-phenylcyclopropyl]-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 154.6
[M+Na]+ 248.10459 170.6
[M+NH4]+ 243.14919 164.2
[M+K]+ 264.07853 164.1
[M-H]- 224.10809 166.7
[M+Na-2H]- 246.09004 167.1
[M]+ 225.11482 161.5
[M]- 225.11592 161.5
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.