CID 12071049

2-aminohistidine

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

C1=C(NC(=N1)N)C[C@@H](C(=O)O)N

InChI

InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1

InChIKey

UYEGXSNFZXWSDV-BYPYZUCNSA-N

Compound name

(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1846
Patents: 170.08037 Da
Monoisotopic Mass: -3.6
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]+	171.08765	135.1
[M+Na]+	193.06959	141.4
[M+NH4]+	188.11419	139.9
[M+K]+	209.04353	141.8
[M-H]-	169.07309	133.2
[M+Na-2H]-	191.05504	136.9
[M]+	170.07982	134.6
[M]-	170.08092	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe