CID 525789

4-methyl-2-pentyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCCCC1=NC(=CO1)C
InChI
InChI=1S/C9H15NO/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3
InChIKey
QPKLQTHGELMTTA-UHFFFAOYSA-N
Compound name
4-methyl-2-pentyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 133.1
[M+Na]+ 176.104588 141.5
[M-H]- 152.108094 136.0
[M+NH4]+ 171.149193 153.8
[M+K]+ 192.078528 141.2
[M+H-H2O]+ 136.112630 127.1
[M+HCOO]- 198.113571 156.4
[M+CH3COO]- 212.129221 177.2
[M+Na-2H]- 174.090036 139.2
[M]+ 153.11482142 136.7
[M]- 153.11591858 136.7
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.