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

literature stripe

Patent stripe

patents stripe