CID 13746928

(7as)-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1(N2C(CCC2=O)CO1)C
InChI
InChI=1S/C8H13NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h6H,3-5H2,1-2H3
InChIKey
YTXXRLXVAZGQAL-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 130.9
[M+Na]+ 178.083858 140.0
[M-H]- 154.087364 134.9
[M+NH4]+ 173.128463 156.1
[M+K]+ 194.057798 139.9
[M+H-H2O]+ 138.091900 126.9
[M+HCOO]- 200.092841 151.2
[M+CH3COO]- 214.108491 174.9
[M+Na-2H]- 176.069306 135.6
[M]+ 155.09409142 130.8
[M]- 155.09518858 130.8
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

No patent data available for this compound.