CID 10898929

99208-71-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1(N2[C@@H](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/t6-/m0/s1
InChIKey
YTXXRLXVAZGQAL-LURJTMIESA-N
Compound name
(7aS)-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

173
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 130.9
[M+Na]+ 178.08386 140.0
[M-H]- 154.08736 134.9
[M+NH4]+ 173.12846 156.1
[M+K]+ 194.05780 139.9
[M+H-H2O]+ 138.09190 126.9
[M+HCOO]- 200.09284 151.2
[M+CH3COO]- 214.10849 174.9
[M+Na-2H]- 176.06931 135.6
[M]+ 155.09409 130.8
[M]- 155.09519 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

literature stripe

Patent stripe

patents stripe