CID 3054961

71824-54-9

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCC(CC=C)(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C13H18N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3,5-7,10H,1,4,8-9H2,2H3,(H2,14,16)
InChIKey
QCOCNTHCWCKXBU-UHFFFAOYSA-N
Compound name
2-propyl-2-pyridin-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 152.5
[M+Na]+ 241.131118 158.1
[M-H]- 217.134624 153.7
[M+NH4]+ 236.175723 168.9
[M+K]+ 257.105058 154.8
[M+H-H2O]+ 201.139160 145.5
[M+HCOO]- 263.140101 172.9
[M+CH3COO]- 277.155751 191.6
[M+Na-2H]- 239.116566 157.4
[M]+ 218.14135142 151.5
[M]- 218.14244858 151.5
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

No patent data available for this compound.