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]+ 240.138286 153.0
[M+Na]+ 262.120228 161.7
[M-H]- 238.123734 160.7
[M+NH4]+ 257.164833 163.9
[M+K]+ 278.094168 156.8
[M+H-H2O]+ 222.128270 144.8
[M+HCOO]- 284.129211 174.1
[M+CH3COO]- 298.144861 164.7
[M+Na-2H]- 260.105676 157.6
[M]+ 239.13046142 154.0
[M]- 239.13155858 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.