CID 123831

N,n-dimethylarginine

Structural Information

Molecular Formula
C8H18N4O2
SMILES
CN(C)C(=NCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKey
YDGMGEXADBMOMJ-LURJTMIESA-N
Compound name
(2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2329
References

5145
Patents

202.14297 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15025 148.7
[M+Na]+ 225.13219 152.3
[M+NH4]+ 220.17679 153.4
[M+K]+ 241.10613 150.8
[M-H]- 201.13569 147.8
[M+Na-2H]- 223.11764 148.9
[M]+ 202.14242 148.0
[M]- 202.14352 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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