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 153.0
[M+Na]+ 262.12023 161.7
[M-H]- 238.12373 160.7
[M+NH4]+ 257.16483 163.9
[M+K]+ 278.09417 156.8
[M+H-H2O]+ 222.12827 144.8
[M+HCOO]- 284.12921 174.1
[M+CH3COO]- 298.14486 164.7
[M+Na-2H]- 260.10568 157.6
[M]+ 239.13046 154.0
[M]- 239.13156 154.0
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.