CID 90767

Alpha-(2-methylpropylidene)pyridine-2-acetonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
CC(C)C=C(C#N)C1=CC=CC=N1
InChI
InChI=1S/C11H12N2/c1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-7,9H,1-2H3
InChIKey
CACVYMFWMKRDPI-UHFFFAOYSA-N
Compound name
4-methyl-2-pyridin-2-ylpent-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 140.1
[M+Na]+ 195.089268 148.5
[M-H]- 171.092774 141.5
[M+NH4]+ 190.133873 156.9
[M+K]+ 211.063208 145.3
[M+H-H2O]+ 155.097310 126.7
[M+HCOO]- 217.098251 157.5
[M+CH3COO]- 231.113901 193.6
[M+Na-2H]- 193.074716 144.5
[M]+ 172.09950142 134.1
[M]- 172.10059858 134.1
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