CID 11321001

152139-64-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(O[C@@H]2CNC[C@@H]2O1)C

InChI

InChI=1S/C7H13NO2/c1-7(2)9-5-3-8-4-6(5)10-7/h5-6,8H,3-4H2,1-2H3/t5-,6+

InChIKey

XZYBWCDJMBCCJX-OLQVQODUSA-N

Compound name

(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 143.09464 Da
Monoisotopic Mass: -0.1
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	128.7
[M+Na]+	166.08386	137.8
[M+NH4]+	161.12846	138.7
[M+K]+	182.05780	135.7
[M-H]-	142.08736	131.2
[M+Na-2H]-	164.06931	131.4
[M]+	143.09409	130.6
[M]-	143.09519	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe