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

1162
Patents

135.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 128.0
[M+Na]+ 158.09402 135.5
[M-H]- 134.09752 130.0
[M+NH4]+ 153.13862 148.6
[M+K]+ 174.06796 133.6
[M+H-H2O]+ 118.10206 121.6
[M+HCOO]- 180.10300 151.3
[M+CH3COO]- 194.11865 174.2
[M+Na-2H]- 156.07947 136.5
[M]+ 135.10425 128.5
[M]- 135.10535 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