CID 193082

27432-21-9

Structural Information

Molecular Formula
C17H21NO
SMILES
CCC(C1=CN=CC=C1)C(C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H21NO/c1-4-17(15-6-5-11-18-12-15)13(2)14-7-9-16(19-3)10-8-14/h5-13,17H,4H2,1-3H3
InChIKey
LDGKJFRRQBKNIO-UHFFFAOYSA-N
Compound name
3-[2-(4-methoxyphenyl)pentan-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.5
[M+Na]+ 278.15153 167.1
[M-H]- 254.15503 166.3
[M+NH4]+ 273.19613 176.8
[M+K]+ 294.12547 163.8
[M+H-H2O]+ 238.15957 152.8
[M+HCOO]- 300.16051 181.7
[M+CH3COO]- 314.17616 198.5
[M+Na-2H]- 276.13698 164.9
[M]+ 255.16176 162.7
[M]- 255.16286 162.7
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.