CID 10975468

147857-43-0

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

COC(=O)[C@H](CN)N

InChI

InChI=1S/C4H10N2O2/c1-8-4(7)3(6)2-5/h3H,2,5-6H2,1H3/t3-/m0/s1

InChIKey

WLXXVJOVQCQAMX-VKHMYHEASA-N

Compound name

methyl (2S)-2,3-diaminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 118.07423 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]+	119.08151	123.6
[M+Na]+	141.06345	130.7
[M+NH4]+	136.10805	130.2
[M+K]+	157.03739	128.1
[M-H]-	117.06695	122.6
[M+Na-2H]-	139.04890	125.7
[M]+	118.07368	123.7
[M]-	118.07478	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe