CID 117691418

Methyl 3-amino-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₄

SMILES

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

InChI

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

InChIKey

VHRXVHBSPBWTGA-UHFFFAOYSA-N

Compound name

methyl 2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.1423 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]+	233.149576	155.1
[M+Na]+	255.131518	159.3
[M-H]-	231.135024	154.6
[M+NH4]+	250.176123	172.2
[M+K]+	271.105458	160.4
[M+H-H2O]+	215.139560	149.4
[M+HCOO]-	277.140501	175.8
[M+CH3COO]-	291.156151	195.0
[M+Na-2H]-	253.116966	156.6
[M]+	232.14175142	156.7
[M]-	232.14284858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe