CID 15928

1-ethylpyridinium bromide

Structural Information

Molecular Formula
C7H10N
SMILES
CC[N+]1=CC=CC=C1
InChI
InChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKey
OIDIRWZVUWCCCO-UHFFFAOYSA-N
Compound name
1-ethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

8602
Patents

108.08132 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.08860 119.7
[M+Na]+ 131.07054 128.1
[M-H]- 107.07404 122.5
[M+NH4]+ 126.11514 141.2
[M+K]+ 147.04448 121.5
[M+H-H2O]+ 91.078580 116.7
[M+HCOO]- 153.07952 143.5
[M+CH3COO]- 167.09517 161.7
[M+Na-2H]- 129.05599 131.4
[M]+ 108.08077 118.3
[M]- 108.08187 118.3
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