CID 439918

Guanidinosuccinic acid

Structural Information

Molecular Formula

C₅H₉N₃O₄

SMILES

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

InChI

InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1

InChIKey

VVHOUVWJCQOYGG-REOHCLBHSA-N

Compound name

(2S)-2-(diaminomethylideneamino)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 116
References: 687
Patents: 175.05931 Da
Monoisotopic Mass: -2.0
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]+	176.06659	135.8
[M+Na]+	198.04853	140.1
[M-H]-	174.05203	133.8
[M+NH4]+	193.09313	153.0
[M+K]+	214.02247	140.8
[M+H-H2O]+	158.05657	129.7
[M+HCOO]-	220.05751	157.6
[M+CH3COO]-	234.07316	184.3
[M+Na-2H]-	196.03398	136.2
[M]+	175.05876	131.1
[M]-	175.05986	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe