CID 79620933

1-(3-methoxy-2,2-dimethyl-3-oxopropyl)piperazine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)(CN1CCNCC1C(=O)O)C(=O)OC

InChI

InChI=1S/C11H20N2O4/c1-11(2,10(16)17-3)7-13-5-4-12-6-8(13)9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)

InChIKey

XIURPEXPQLWEAT-UHFFFAOYSA-N

Compound name

1-(3-methoxy-2,2-dimethyl-3-oxopropyl)piperazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.1423 Da
Monoisotopic Mass: -2.3
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]+	245.149576	157.4
[M+Na]+	267.131518	161.3
[M-H]-	243.135024	154.6
[M+NH4]+	262.176123	170.4
[M+K]+	283.105458	160.0
[M+H-H2O]+	227.139560	150.8
[M+HCOO]-	289.140501	169.0
[M+CH3COO]-	303.156151	187.9
[M+Na-2H]-	265.116966	158.6
[M]+	244.14175142	154.0
[M]-	244.14284858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.