CID 384230

Nsc673646

Structural Information

Molecular Formula
C11H17NO
SMILES
CCCCC1=C(OC(=N1)C)CC=C
InChI
InChI=1S/C11H17NO/c1-4-6-8-10-11(7-5-2)13-9(3)12-10/h5H,2,4,6-8H2,1,3H3
InChIKey
FZPOHNZVFUNVDI-UHFFFAOYSA-N
Compound name
4-butyl-2-methyl-5-prop-2-enyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.7
[M+Na]+ 202.12023 149.5
[M-H]- 178.12373 143.6
[M+NH4]+ 197.16483 160.6
[M+K]+ 218.09417 148.0
[M+H-H2O]+ 162.12827 134.7
[M+HCOO]- 224.12921 163.5
[M+CH3COO]- 238.14486 183.5
[M+Na-2H]- 200.10568 145.0
[M]+ 179.13046 144.7
[M]- 179.13156 144.7
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.