CID 121661

4-methyl-2-propylpyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CCCC1=NC=CC(=C1)C
InChI
InChI=1S/C9H13N/c1-3-4-9-7-8(2)5-6-10-9/h5-7H,3-4H2,1-2H3
InChIKey
VUGBOWJFXQYHBW-UHFFFAOYSA-N
Compound name
4-methyl-2-propylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.5
[M+Na]+ 158.094018 135.9
[M-H]- 134.097524 129.9
[M+NH4]+ 153.138623 148.5
[M+K]+ 174.067958 134.1
[M+H-H2O]+ 118.102060 121.4
[M+HCOO]- 180.103001 150.8
[M+CH3COO]- 194.118651 175.2
[M+Na-2H]- 156.079466 135.3
[M]+ 135.10425142 128.3
[M]- 135.10534858 128.3
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