CID 91998

56057-93-3

Structural Information

Molecular Formula
C9H11N
SMILES
CC1=NC=C(C=C1)C(=C)C
InChI
InChI=1S/C9H11N/c1-7(2)9-5-4-8(3)10-6-9/h4-6H,1H2,2-3H3
InChIKey
GJFICMVGNQQCEE-UHFFFAOYSA-N
Compound name
2-methyl-5-prop-1-en-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

67
Patents

133.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 126.1
[M+Na]+ 156.07836 134.6
[M-H]- 132.08186 128.7
[M+NH4]+ 151.12296 147.0
[M+K]+ 172.05230 132.6
[M+H-H2O]+ 116.08640 120.2
[M+HCOO]- 178.08734 148.7
[M+CH3COO]- 192.10299 175.1
[M+Na-2H]- 154.06381 132.7
[M]+ 133.08859 125.6
[M]- 133.08969 125.6
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