CID 78761

Sarcosine anhydride

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN1CC(=O)N(CC1=O)C

InChI

InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3

InChIKey

PKDGRAULLDDTRN-UHFFFAOYSA-N

Compound name

1,4-dimethylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 142.07423 Da
Monoisotopic Mass: -0.9
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]+	143.08151	127.4
[M+Na]+	165.06345	136.5
[M-H]-	141.06695	128.6
[M+NH4]+	160.10805	146.8
[M+K]+	181.03739	135.6
[M+H-H2O]+	125.07149	121.2
[M+HCOO]-	187.07243	146.8
[M+CH3COO]-	201.08808	174.5
[M+Na-2H]-	163.04890	132.2
[M]+	142.07368	125.7
[M]-	142.07478	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe