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 156.7
[M+Na]+ 273.12096 167.2
[M-H]- 249.12446 161.8
[M+NH4]+ 268.16556 174.0
[M+K]+ 289.09490 165.7
[M+H-H2O]+ 233.12900 151.4
[M+HCOO]- 295.12994 175.7
[M+CH3COO]- 309.14559 193.4
[M+Na-2H]- 271.10641 157.3
[M]+ 250.13119 160.4
[M]- 250.13229 160.4
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