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

5
Patents

222.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 150.9
[M+Na]+ 245.12605 159.6
[M-H]- 221.12955 156.2
[M+NH4]+ 240.17065 169.4
[M+K]+ 261.09999 158.9
[M+H-H2O]+ 205.13409 144.8
[M+HCOO]- 267.13503 170.1
[M+CH3COO]- 281.15068 188.7
[M+Na-2H]- 243.11150 152.5
[M]+ 222.13628 152.4
[M]- 222.13738 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