CID 164121

120771-07-5

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC1=C(C(=O)N(C1O)C2=NOC(=C2)C(C)(C)C)C
InChI
InChI=1S/C13H18N2O3/c1-7-8(2)12(17)15(11(7)16)10-6-9(18-14-10)13(3,4)5/h6,11,16H,1-5H3
InChIKey
AVURBODECJBIHR-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,2-oxazol-3-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

250.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 157.0
[M+Na]+ 273.12096 167.7
[M+NH4]+ 268.16556 162.8
[M+K]+ 289.09490 168.2
[M-H]- 249.12446 158.2
[M+Na-2H]- 271.10641 159.8
[M]+ 250.13119 158.7
[M]- 250.13229 158.7
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

patents stripe