CID 57112222

4,5-diethyl-2-methyloxazole

Structural Information

Molecular Formula
C8H13NO
SMILES
CCC1=C(OC(=N1)C)CC
InChI
InChI=1S/C8H13NO/c1-4-7-8(5-2)10-6(3)9-7/h4-5H2,1-3H3
InChIKey
DIGAWDVOQLWBOS-UHFFFAOYSA-N
Compound name
4,5-diethyl-2-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

139.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 127.7
[M+Na]+ 162.08894 137.5
[M-H]- 138.09244 131.2
[M+NH4]+ 157.13354 149.4
[M+K]+ 178.06288 137.5
[M+H-H2O]+ 122.09698 122.3
[M+HCOO]- 184.09792 151.4
[M+CH3COO]- 198.11357 175.3
[M+Na-2H]- 160.07439 133.8
[M]+ 139.09917 131.3
[M]- 139.10027 131.3
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