CID 12759

2,3,5-trimethylpyridine

Structural Information

Molecular Formula
C8H11N
SMILES
CC1=CC(=C(N=C1)C)C
InChI
InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey
GFYHSKONPJXCDE-UHFFFAOYSA-N
Compound name
2,3,5-trimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47175
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 122.1
[M+Na]+ 144.07837 132.0
[M-H]- 120.08187 125.2
[M+NH4]+ 139.12297 144.0
[M+K]+ 160.05231 130.4
[M+H-H2O]+ 104.08641 116.5
[M+HCOO]- 166.08735 145.8
[M+CH3COO]- 180.10300 173.3
[M+Na-2H]- 142.06382 129.8
[M]+ 121.08860 123.0
[M]- 121.08970 123.0
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