CID 160464

5-guanidinopentanoic acid

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

C(CCN=C(N)N)CC(=O)O

InChI

InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)

InChIKey

UKUBCVAQGIZRHL-UHFFFAOYSA-N

Compound name

5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 353
Patents: 159.10077 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]+	160.108046	135.2
[M+Na]+	182.089988	139.9
[M-H]-	158.093494	134.3
[M+NH4]+	177.134593	154.2
[M+K]+	198.063928	139.5
[M+H-H2O]+	142.098030	129.0
[M+HCOO]-	204.098971	159.5
[M+CH3COO]-	218.114621	184.1
[M+Na-2H]-	180.075436	138.0
[M]+	159.10022142	131.9
[M]-	159.10131858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe