CID 2801657

Ns00017159

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CN(C)CC1COC(=O)C1=O

InChI

InChI=1S/C7H11NO3/c1-8(2)3-5-4-11-7(10)6(5)9/h5H,3-4H2,1-2H3

InChIKey

NBYRCTHMAXYMJN-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]oxolane-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 157.0739 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]+	158.081176	130.3
[M+Na]+	180.063118	138.0
[M-H]-	156.066624	136.1
[M+NH4]+	175.107723	152.2
[M+K]+	196.037058	139.7
[M+H-H2O]+	140.071160	125.2
[M+HCOO]-	202.072101	154.9
[M+CH3COO]-	216.087751	181.0
[M+Na-2H]-	178.048566	134.7
[M]+	157.07335142	132.0
[M]-	157.07444858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe