CID 59334703

2-ethynyl-5-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C10H11N
SMILES
CC(C)C1=CN=C(C=C1)C#C
InChI
InChI=1S/C10H11N/c1-4-10-6-5-9(7-11-10)8(2)3/h1,5-8H,2-3H3
InChIKey
QSZFTUAMYIMXLG-UHFFFAOYSA-N
Compound name
2-ethynyl-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

145.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 130.1
[M+Na]+ 168.078358 140.3
[M-H]- 144.081864 131.0
[M+NH4]+ 163.122963 148.1
[M+K]+ 184.052298 136.7
[M+H-H2O]+ 128.086400 117.9
[M+HCOO]- 190.087341 146.5
[M+CH3COO]- 204.102991 185.9
[M+Na-2H]- 166.063806 135.2
[M]+ 145.08859142 124.6
[M]- 145.08968858 124.6
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