CID 3048309

4-pyridinemethanol, alpha-(2-(4-methylphenyl)cyclopropyl)-, hydrochloride, (1-alpha(r*),2-beta)-

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=CC=C(C=C1)[C@H]2C[C@@H]2[C@@H](C3=CN=CC=C3)O
InChI
InChI=1S/C16H17NO/c1-11-4-6-12(7-5-11)14-9-15(14)16(18)13-3-2-8-17-10-13/h2-8,10,14-16,18H,9H2,1H3/t14-,15+,16-/m1/s1
InChIKey
SLZCLTCLPWDUNU-OWCLPIDISA-N
Compound name
(S)-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 158.0
[M+Na]+ 262.12023 174.2
[M+NH4]+ 257.16483 167.4
[M+K]+ 278.09417 167.7
[M-H]- 238.12373 170.1
[M+Na-2H]- 260.10568 170.1
[M]+ 239.13046 165.0
[M]- 239.13156 165.0
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.