CID 10997947

171284-84-7

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C)(C)[C@@H]1N2[C@@H](CCC2=O)C(=O)O1

InChI

InChI=1S/C10H15NO3/c1-10(2,3)9-11-6(8(13)14-9)4-5-7(11)12/h6,9H,4-5H2,1-3H3/t6-,9+/m0/s1

InChIKey

XKHXNEYLUYSDJF-IMTBSYHQSA-N

Compound name

(3R,7aS)-3-tert-butyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 197.1052 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.11248	142.4
[M+Na]+	220.09442	151.0
[M+NH4]+	215.13902	149.6
[M+K]+	236.06836	151.3
[M-H]-	196.09792	142.6
[M+Na-2H]-	218.07987	142.8
[M]+	197.10465	143.4
[M]-	197.10575	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe