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
8
Annotation Hits

2339
References

5161
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 149.2
[M+Na]+ 225.13219 152.3
[M-H]- 201.13569 149.7
[M+NH4]+ 220.17679 166.9
[M+K]+ 241.10613 153.6
[M+H-H2O]+ 185.14023 142.1
[M+HCOO]- 247.14117 173.5
[M+CH3COO]- 261.15682 199.1
[M+Na-2H]- 223.11764 149.2
[M]+ 202.14242 146.4
[M]- 202.14352 146.4
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

patents stripe