CID 29644

2-isopropyl-4,5-dimethyloxazole

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1=C(OC(=N1)C(C)C)C
InChI
InChI=1S/C8H13NO/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
InChIKey
OHMVVHYBMWXHSY-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

139.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.6
[M+Na]+ 162.08894 140.9
[M+NH4]+ 157.13354 137.1
[M+K]+ 178.06288 137.6
[M-H]- 138.09244 131.0
[M+Na-2H]- 160.07439 133.6
[M]+ 139.09917 131.0
[M]- 139.10027 131.0
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