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 148.8
[M+Na]+ 248.10459 157.1
[M-H]- 224.10809 156.4
[M+NH4]+ 243.14919 159.9
[M+K]+ 264.07853 152.5
[M+H-H2O]+ 208.11263 140.6
[M+HCOO]- 270.11357 170.3
[M+CH3COO]- 284.12922 160.6
[M+Na-2H]- 246.09004 154.7
[M]+ 225.11482 149.1
[M]- 225.11592 149.1
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.