CID 90658375

3-methylarginine

Structural Information

Molecular Formula

C₇H₁₆N₄O₂

SMILES

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

InChI

InChI=1S/C7H16N4O2/c1-4(5(8)6(12)13)2-3-11-7(9)10/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/t4?,5-/m0/s1

InChIKey

VRWSVIUPXSFVFZ-AKGZTFGVSA-N

Compound name

(2S)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 39
Patents: 188.12732 Da
Monoisotopic Mass: -3.8
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]+	189.13460	144.3
[M+Na]+	211.11654	147.2
[M+NH4]+	206.16114	148.6
[M+K]+	227.09048	146.6
[M-H]-	187.12004	142.7
[M+Na-2H]-	209.10199	143.6
[M]+	188.12677	143.2
[M]-	188.12787	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe