CID 25203331

N(omega),n(omega)-dimethyl-l-argininium

Structural Information

Molecular Formula
C8H19N4O2
SMILES
C[N+](=C(N)NCCC[C@@H](C(=O)O)N)C
InChI
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H3,10,11,13,14)/p+1/t6-/m0/s1
InChIKey
JQJOPUQWJYPVOA-LURJTMIESA-O
Compound name
[amino-[[(4S)-4-amino-4-carboxybutyl]amino]methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

203.1508 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15808 145.8
[M+Na]+ 226.14002 148.5
[M-H]- 202.14352 145.1
[M+NH4]+ 221.18462 162.4
[M+K]+ 242.11396 143.5
[M+H-H2O]+ 186.14806 141.9
[M+HCOO]- 248.14900 168.3
[M+CH3COO]- 262.16465 188.9
[M+Na-2H]- 224.12547 148.0
[M]+ 203.15025 139.8
[M]- 203.15135 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.