CID 137955337

3-{[(tert-butoxy)carbonyl]amino}-2-(dimethylamino)propanoic acid

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)N(C)C

InChI

InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-6-7(8(13)14)12(4)5/h7H,6H2,1-5H3,(H,11,15)(H,13,14)

InChIKey

XDSRANDWRCTPAF-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.1423 Da
Monoisotopic Mass: -1.7
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]+	233.149576	154.2
[M+Na]+	255.131518	158.2
[M-H]-	231.135024	154.3
[M+NH4]+	250.176123	171.4
[M+K]+	271.105458	160.2
[M+H-H2O]+	215.139560	148.7
[M+HCOO]-	277.140501	174.6
[M+CH3COO]-	291.156151	197.2
[M+Na-2H]-	253.116966	155.6
[M]+	232.14175142	156.4
[M]-	232.14284858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe