CID 574068

2-isobutyl-4,5-dimethyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1=C(OC(=N1)CC(C)C)C
InChI
InChI=1S/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
InChIKey
SNRVAFQIIFPYDR-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

153.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.9
[M+Na]+ 176.104588 142.0
[M-H]- 152.108094 136.4
[M+NH4]+ 171.149193 153.9
[M+K]+ 192.078528 142.2
[M+H-H2O]+ 136.112630 127.4
[M+HCOO]- 198.113571 155.2
[M+CH3COO]- 212.129221 179.2
[M+Na-2H]- 174.090036 137.1
[M]+ 153.11482142 136.2
[M]- 153.11591858 136.2
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