CID 116914

1-(2-(2-cyano-1-oxoethoxy)ethyl)pyridinium, chloride

Structural Information

Molecular Formula
C10H11N2O2
SMILES
C1=CC=[N+](C=C1)CCOC(=O)CC#N
InChI
InChI=1S/C10H11N2O2/c11-5-4-10(13)14-9-8-12-6-2-1-3-7-12/h1-3,6-7H,4,8-9H2/q+1
InChIKey
BZSMSRTWUBDLKV-UHFFFAOYSA-N
Compound name
2-pyridin-1-ium-1-ylethyl 2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.08205 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08933 141.4
[M+Na]+ 214.07127 154.7
[M+NH4]+ 209.11587 146.3
[M+K]+ 230.04521 146.2
[M-H]- 190.07477 136.6
[M+Na-2H]- 212.05672 146.1
[M]+ 191.08150 141.3
[M]- 191.08260 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe