CID 163601

92338-74-4

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1CCN(C1=O)C2=NOC(=C2)C(C)(C)C
InChI
InChI=1S/C12H18N2O2/c1-8-5-6-14(11(8)15)10-7-9(16-13-10)12(2,3)4/h7-8H,5-6H2,1-4H3
InChIKey
DLQYQOFFVOWSEL-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 150.9
[M+Na]+ 245.126048 159.6
[M-H]- 221.129554 156.2
[M+NH4]+ 240.170653 169.4
[M+K]+ 261.099988 158.9
[M+H-H2O]+ 205.134090 144.8
[M+HCOO]- 267.135031 170.1
[M+CH3COO]- 281.150681 188.7
[M+Na-2H]- 243.111496 152.5
[M]+ 222.13628142 152.4
[M]- 222.13737858 152.4
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