CID 92891

Albizziin

Structural Information

Molecular Formula

C₄H₉N₃O₃

SMILES

C([C@@H](C(=O)O)N)NC(=O)N

InChI

InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1

InChIKey

GZYFIMLSHBLMKF-REOHCLBHSA-N

Compound name

(2S)-2-amino-3-(carbamoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1545
Patents: 147.06439 Da
Monoisotopic Mass: -4.6
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]+	148.07167	129.7
[M+Na]+	170.05361	134.6
[M-H]-	146.05711	127.9
[M+NH4]+	165.09821	148.4
[M+K]+	186.02755	134.9
[M+H-H2O]+	130.06165	123.9
[M+HCOO]-	192.06259	152.4
[M+CH3COO]-	206.07824	178.8
[M+Na-2H]-	168.03906	131.8
[M]+	147.06384	124.6
[M]-	147.06494	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe