CID 529347

13854-02-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

133.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 126.1
[M+Na]+ 156.078358 134.6
[M-H]- 132.081864 128.7
[M+NH4]+ 151.122963 147.0
[M+K]+ 172.052298 132.6
[M+H-H2O]+ 116.086400 120.2
[M+HCOO]- 178.087341 148.7
[M+CH3COO]- 192.102991 175.1
[M+Na-2H]- 154.063806 132.7
[M]+ 133.08859142 125.6
[M]- 133.08968858 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