CID 413290

108682-65-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CC(C(=O)O1)(C)N)C

InChI

InChI=1S/C7H13NO2/c1-6(2)4-7(3,8)5(9)10-6/h4,8H2,1-3H3

InChIKey

PSNZNUVVVCXRNM-UHFFFAOYSA-N

Compound name

3-amino-3,5,5-trimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.09464 Da
Monoisotopic Mass: 0.2
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]+	144.101916	124.8
[M+Na]+	166.083858	134.0
[M-H]-	142.087364	129.4
[M+NH4]+	161.128463	150.7
[M+K]+	182.057798	134.4
[M+H-H2O]+	126.091900	122.2
[M+HCOO]-	188.092841	147.9
[M+CH3COO]-	202.108491	175.0
[M+Na-2H]-	164.069306	131.7
[M]+	143.09409142	124.3
[M]-	143.09518858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe