CID 86025808

5-butyl-4-methyl-2-propyloxazole

Structural Information

Molecular Formula
C11H19NO
SMILES
CCCCC1=C(N=C(O1)CCC)C
InChI
InChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3
InChIKey
ZCLMRZDAGQVHDO-UHFFFAOYSA-N
Compound name
5-butyl-4-methyl-2-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 142.0
[M+Na]+ 204.13589 150.5
[M-H]- 180.13939 145.0
[M+NH4]+ 199.18049 162.0
[M+K]+ 220.10983 149.7
[M+H-H2O]+ 164.14393 136.0
[M+HCOO]- 226.14487 164.7
[M+CH3COO]- 240.16052 184.3
[M+Na-2H]- 202.12134 146.4
[M]+ 181.14612 146.7
[M]- 181.14722 146.7
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.