CID 73046

N2-methyl-l-arginine

Structural Information

Molecular Formula
C7H16N4O2
SMILES
CN[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
InChIKey
NTWVQPHTOUKMDI-YFKPBYRVSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

268
References

10732
Patents

188.12732 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13460 143.5
[M+Na]+ 211.11654 146.6
[M-H]- 187.12004 142.5
[M+NH4]+ 206.16114 160.9
[M+K]+ 227.09048 146.8
[M+H-H2O]+ 171.12458 136.5
[M+HCOO]- 233.12552 167.4
[M+CH3COO]- 247.14117 193.5
[M+Na-2H]- 209.10199 144.8
[M]+ 188.12677 139.1
[M]- 188.12787 139.1
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.