CID 439233

Formiminoglutamic acid

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey

NRXIKWMTVXPVEF-BYPYZUCNSA-N

Compound name

(2S)-2-(aminomethylideneamino)pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 146
References: 314
Patents: 174.06406 Da
Monoisotopic Mass: -1.1
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]+	175.07134	136.1
[M+Na]+	197.05328	141.2
[M-H]-	173.05678	134.4
[M+NH4]+	192.09788	154.2
[M+K]+	213.02722	141.2
[M+H-H2O]+	157.06132	130.4
[M+HCOO]-	219.06226	158.3
[M+CH3COO]-	233.07791	181.3
[M+Na-2H]-	195.03873	138.1
[M]+	174.06351	134.3
[M]-	174.06461	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe