CID 11417

3,4-lutidine

Structural Information

Molecular Formula
C7H9N
SMILES
CC1=C(C=NC=C1)C
InChI
InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
InChIKey
NURQLCJSMXZBPC-UHFFFAOYSA-N
Compound name
3,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

7676
Patents

107.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 118.0
[M+Na]+ 130.062718 127.4
[M-H]- 106.066224 120.9
[M+NH4]+ 125.107323 140.2
[M+K]+ 146.036658 126.1
[M+H-H2O]+ 90.070760 112.4
[M+HCOO]- 152.071701 142.1
[M+CH3COO]- 166.087351 169.1
[M+Na-2H]- 128.048166 127.0
[M]+ 107.07295142 118.2
[M]- 107.07404858 118.2
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