CID 86113205

4-butyl-2-ethyl-5-methyloxazole

Structural Information

Molecular Formula
C10H17NO
SMILES
CCCCC1=C(OC(=N1)CC)C
InChI
InChI=1S/C10H17NO/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3
InChIKey
FQGHKCJAKLWLKG-UHFFFAOYSA-N
Compound name
4-butyl-2-ethyl-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 137.3
[M+Na]+ 190.120228 146.2
[M-H]- 166.123734 140.4
[M+NH4]+ 185.164833 157.8
[M+K]+ 206.094168 145.7
[M+H-H2O]+ 150.128270 131.5
[M+HCOO]- 212.129211 160.3
[M+CH3COO]- 226.144861 181.3
[M+Na-2H]- 188.105676 142.2
[M]+ 167.13046142 141.6
[M]- 167.13155858 141.6
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

No patent data available for this compound.