CID 14936493

Butyl 2-(pyridin-2-yl)acetate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCCCOC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-10-6-4-5-7-12-10/h4-7H,2-3,8-9H2,1H3
InChIKey
AOWFSADDXYTKTN-UHFFFAOYSA-N
Compound name
butyl 2-pyridin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

193.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.2
[M+Na]+ 216.09950 149.8
[M-H]- 192.10300 145.0
[M+NH4]+ 211.14410 161.3
[M+K]+ 232.07344 148.3
[M+H-H2O]+ 176.10754 136.1
[M+HCOO]- 238.10848 165.5
[M+CH3COO]- 252.12413 183.3
[M+Na-2H]- 214.08495 149.2
[M]+ 193.10973 145.8
[M]- 193.11083 145.8
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