CID 72919

2-heptylpyridine

Structural Information

Molecular Formula
C12H19N
SMILES
CCCCCCCC1=CC=CC=N1
InChI
InChI=1S/C12H19N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,10-11H,2-6,9H2,1H3
InChIKey
DYCPESWJKDONHC-UHFFFAOYSA-N
Compound name
2-heptylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

225
Patents

177.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.9
[M+Na]+ 200.140968 148.1
[M-H]- 176.144474 143.4
[M+NH4]+ 195.185573 160.8
[M+K]+ 216.114908 145.4
[M+H-H2O]+ 160.149010 134.9
[M+HCOO]- 222.149951 164.2
[M+CH3COO]- 236.165601 183.2
[M+Na-2H]- 198.126416 148.7
[M]+ 177.15120142 143.5
[M]- 177.15229858 143.5
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