CID 10874

3-butylpyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CCCCC1=CN=CC=C1
InChI
InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChIKey
QSNMFWFDOFQASV-UHFFFAOYSA-N
Compound name
3-butylpyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1156
Patents

135.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 128.0
[M+Na]+ 158.094018 135.5
[M-H]- 134.097524 130.0
[M+NH4]+ 153.138623 148.6
[M+K]+ 174.067958 133.6
[M+H-H2O]+ 118.102060 121.6
[M+HCOO]- 180.103001 151.3
[M+CH3COO]- 194.118651 174.2
[M+Na-2H]- 156.079466 136.5
[M]+ 135.10425142 128.5
[M]- 135.10534858 128.5
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