CID 95701

2-butoxypyridine

Structural Information

Molecular Formula
C9H13NO
SMILES
CCCCOC1=CC=CC=N1
InChI
InChI=1S/C9H13NO/c1-2-3-8-11-9-6-4-5-7-10-9/h4-7H,2-3,8H2,1H3
InChIKey
OFLSKXBALZCMCX-UHFFFAOYSA-N
Compound name
2-butoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2604
Patents

151.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.9
[M+Na]+ 174.08894 145.2
[M+NH4]+ 169.13354 140.7
[M+K]+ 190.06288 137.8
[M-H]- 150.09244 134.0
[M+Na-2H]- 172.07439 139.8
[M]+ 151.09917 134.4
[M]- 151.10027 134.4
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