CID 44451220

N(delta)-methyl-l-arginine

Structural Information

Molecular Formula
C7H17N4O2
SMILES
C[N+](=C(N)N)CCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H4,9,10,12,13)/p+1/t5-/m0/s1
InChIKey
XIXHNLGJMAXREG-YFKPBYRVSA-O
Compound name
[(4S)-4-amino-4-carboxybutyl]-(diaminomethylidene)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13515 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14243 140.9
[M+Na]+ 212.12437 146.1
[M+NH4]+ 207.16897 146.4
[M+K]+ 228.09831 146.0
[M-H]- 188.12787 141.1
[M+Na-2H]- 210.10982 141.5
[M]+ 189.13460 141.1
[M]- 189.13570 141.1
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.