CID 98396

26562-68-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1CN2CCOC2(O1)C

InChI

InChI=1S/C7H13NO2/c1-6-5-8-3-4-9-7(8,2)10-6/h6H,3-5H2,1-2H3

InChIKey

AFRVEOQRRBJDRI-UHFFFAOYSA-N

Compound name

6,7a-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.09464 Da
Monoisotopic Mass: 0.4
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]+	144.10192	128.3
[M+Na]+	166.08386	138.0
[M+NH4]+	161.12846	138.6
[M+K]+	182.05780	135.5
[M-H]-	142.08736	131.3
[M+Na-2H]-	164.06931	131.6
[M]+	143.09409	130.5
[M]-	143.09519	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe