CID 137778

Pyridine, 2-(1-butylpentyl)-

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCC(CCCC)C1=CC=CC=N1
InChI
InChI=1S/C14H23N/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15-14/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKey
YGCMUHWPXXEZCR-UHFFFAOYSA-N
Compound name
2-nonan-5-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

205.18304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.7
[M+Na]+ 228.17226 156.7
[M-H]- 204.17576 152.8
[M+NH4]+ 223.21686 169.4
[M+K]+ 244.14620 154.0
[M+H-H2O]+ 188.18030 144.3
[M+HCOO]- 250.18124 172.3
[M+CH3COO]- 264.19689 190.0
[M+Na-2H]- 226.15771 156.1
[M]+ 205.18249 153.3
[M]- 205.18359 153.3
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