CID 69674

4-isopropylpyridine

Structural Information

Molecular Formula
C8H11N
SMILES
CC(C)C1=CC=NC=C1
InChI
InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
InChIKey
FRGXNJWEDDQLFH-UHFFFAOYSA-N
Compound name
4-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

6406
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.6
[M+Na]+ 144.07837 131.3
[M-H]- 120.08187 125.9
[M+NH4]+ 139.12297 144.7
[M+K]+ 160.05231 130.1
[M+H-H2O]+ 104.08641 117.5
[M+HCOO]- 166.08735 146.3
[M+CH3COO]- 180.10300 171.9
[M+Na-2H]- 142.06382 131.4
[M]+ 121.08860 123.1
[M]- 121.08970 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe