CID 3048311

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

Structural Information

Molecular Formula
C16H17NO2
SMILES
COC1=CC=C(C=C1)[C@H]2C[C@@H]2[C@@H](C3=CN=CC=C3)O
InChI
InChI=1S/C16H17NO2/c1-19-13-6-4-11(5-7-13)14-9-15(14)16(18)12-3-2-8-17-10-12/h2-8,10,14-16,18H,9H2,1H3/t14-,15+,16-/m1/s1
InChIKey
DQNZMXXGFIGZPY-OWCLPIDISA-N
Compound name
(S)-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 157.0
[M+Na]+ 278.115148 165.6
[M-H]- 254.118654 164.7
[M+NH4]+ 273.159753 167.1
[M+K]+ 294.089088 161.1
[M+H-H2O]+ 238.123190 148.6
[M+HCOO]- 300.124131 178.2
[M+CH3COO]- 314.139781 196.6
[M+Na-2H]- 276.100596 161.5
[M]+ 255.12538142 159.4
[M]- 255.12647858 159.4
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.