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
2
Annotation Hits

0
References

2241
Patents

151.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.4
[M+Na]+ 174.088938 138.8
[M-H]- 150.092444 133.4
[M+NH4]+ 169.133543 151.3
[M+K]+ 190.062878 137.4
[M+H-H2O]+ 134.096980 124.8
[M+HCOO]- 196.097921 155.0
[M+CH3COO]- 210.113571 176.1
[M+Na-2H]- 172.074386 139.8
[M]+ 151.09917142 133.3
[M]- 151.10026858 133.3
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