CID 15100

2,3,6-trimethylpyridine

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

0
References

31914
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 122.1
[M+Na]+ 144.078368 132.0
[M-H]- 120.081874 125.2
[M+NH4]+ 139.122973 144.0
[M+K]+ 160.052308 130.4
[M+H-H2O]+ 104.086410 116.5
[M+HCOO]- 166.087351 145.8
[M+CH3COO]- 180.103001 173.3
[M+Na-2H]- 142.063816 129.8
[M]+ 121.08860142 123.0
[M]- 121.08969858 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