CID 16036831

820972-34-7

Structural Information

Molecular Formula
C9H11N2
SMILES
C1=CC=[N+](C=C1)CCCC#N
InChI
InChI=1S/C9H11N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5,9H2/q+1
InChIKey
OAIDEDAQMFMQNC-UHFFFAOYSA-N
Compound name
4-pyridin-1-ium-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

147.09222 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09950 132.0
[M+Na]+ 170.08144 141.3
[M-H]- 146.08494 133.7
[M+NH4]+ 165.12604 149.6
[M+K]+ 186.05538 133.5
[M+H-H2O]+ 130.08948 121.3
[M+HCOO]- 192.09042 151.3
[M+CH3COO]- 206.10607 182.4
[M+Na-2H]- 168.06689 141.6
[M]+ 147.09167 126.1
[M]- 147.09277 126.1
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