CID 13247950

3-amino-4,4-dimethyloxolan-2-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1(COC(=O)C1N)C

InChI

InChI=1S/C6H11NO2/c1-6(2)3-9-5(8)4(6)7/h4H,3,7H2,1-2H3

InChIKey

FTLXLFPMDCOABE-UHFFFAOYSA-N

Compound name

3-amino-4,4-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 129.07898 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]+	130.08626	123.0
[M+Na]+	152.06820	131.7
[M-H]-	128.07170	127.3
[M+NH4]+	147.11280	147.3
[M+K]+	168.04214	132.1
[M+H-H2O]+	112.07624	119.4
[M+HCOO]-	174.07718	146.4
[M+CH3COO]-	188.09283	172.1
[M+Na-2H]-	150.05365	128.9
[M]+	129.07843	121.7
[M]-	129.07953	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe