CID 3020622

5-isopropyl-2-phenylpyridine

Structural Information

Molecular Formula
C14H15N
SMILES
CC(C)C1=CN=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H15N/c1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
ZHJXMVDNGJWXGZ-UHFFFAOYSA-N
Compound name
2-phenyl-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

197.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.127726 143.9
[M+Na]+ 220.109668 151.3
[M-H]- 196.113174 149.2
[M+NH4]+ 215.154273 161.7
[M+K]+ 236.083608 147.6
[M+H-H2O]+ 180.117710 136.0
[M+HCOO]- 242.118651 166.0
[M+CH3COO]- 256.134301 186.7
[M+Na-2H]- 218.095116 150.3
[M]+ 197.11990142 143.2
[M]- 197.12099858 143.2
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

patents stripe