CID 12923154

78833-04-2

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)CC(C#N)C1=CC=CC=N1
InChI
InChI=1S/C11H14N2/c1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-6,9-10H,7H2,1-2H3
InChIKey
GPMCJRHRMGDKEE-UHFFFAOYSA-N
Compound name
4-methyl-2-pyridin-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 139.8
[M+Na]+ 197.104908 147.8
[M-H]- 173.108414 141.1
[M+NH4]+ 192.149513 156.5
[M+K]+ 213.078848 145.2
[M+H-H2O]+ 157.112950 126.3
[M+HCOO]- 219.113891 157.0
[M+CH3COO]- 233.129541 195.1
[M+Na-2H]- 195.090356 144.3
[M]+ 174.11514142 134.5
[M]- 174.11623858 134.5
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