CID 88616

2-propylpyridine 1-oxide

Structural Information

Molecular Formula
C8H11NO
SMILES
CCCC1=CC=CC=[N+]1[O-]
InChI
InChI=1S/C8H11NO/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChIKey
AEMUJNMHHWNVSA-UHFFFAOYSA-N
Compound name
1-oxido-2-propylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.5
[M+Na]+ 160.073278 135.9
[M-H]- 136.076784 128.8
[M+NH4]+ 155.117883 147.4
[M+K]+ 176.047218 129.4
[M+H-H2O]+ 120.081320 126.6
[M+HCOO]- 182.082261 150.6
[M+CH3COO]- 196.097911 164.6
[M+Na-2H]- 158.058726 136.9
[M]+ 137.08351142 125.9
[M]- 137.08460858 125.9
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