CID 525777

4-butyl-2,5-dimethyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCCC1=C(OC(=N1)C)C
InChI
InChI=1S/C9H15NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3
InChIKey
MRXQRKKZDKCDSE-UHFFFAOYSA-N
Compound name
4-butyl-2,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

153.11537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.5
[M+Na]+ 176.104588 141.9
[M-H]- 152.108094 135.8
[M+NH4]+ 171.149193 153.6
[M+K]+ 192.078528 141.6
[M+H-H2O]+ 136.112630 126.9
[M+HCOO]- 198.113571 155.8
[M+CH3COO]- 212.129221 178.3
[M+Na-2H]- 174.090036 138.0
[M]+ 153.11482142 136.5
[M]- 153.11591858 136.5
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