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]+ 154.12265 133.1
[M+Na]+ 176.10459 141.5
[M-H]- 152.10809 136.0
[M+NH4]+ 171.14919 153.8
[M+K]+ 192.07853 141.2
[M+H-H2O]+ 136.11263 127.1
[M+HCOO]- 198.11357 156.4
[M+CH3COO]- 212.12922 177.2
[M+Na-2H]- 174.09004 139.2
[M]+ 153.11482 136.7
[M]- 153.11592 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.