CID 2733463

(3r-cis)-(-)-2,3-dihydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(7ah)-one

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC(C)[C@@H]1CO[C@@]2(N1C(=O)C=C2)C
InChI
InChI=1S/C10H15NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h4-5,7-8H,6H2,1-3H3/t8-,10-/m0/s1
InChIKey
JOXQDNAGAGXGOK-WPRPVWTQSA-N
Compound name
(3R,7aS)-7a-methyl-3-propan-2-yl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.3
[M+Na]+ 204.09950 149.0
[M+NH4]+ 199.14410 149.0
[M+K]+ 220.07344 146.2
[M-H]- 180.10300 140.7
[M+Na-2H]- 202.08495 142.6
[M]+ 181.10973 141.0
[M]- 181.11083 141.0
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.