CID 88992814

N-amidino-l-arginine

Structural Information

Molecular Formula
C7H16N6O2
SMILES
C(C[C@@H](C(=O)O)N=C(N)N)CN=C(N)N
InChI
InChI=1S/C7H16N6O2/c8-6(9)12-3-1-2-4(5(14)15)13-7(10)11/h4H,1-3H2,(H,14,15)(H4,8,9,12)(H4,10,11,13)/t4-/m0/s1
InChIKey
VGGNEPAQODPRKE-BYPYZUCNSA-N
Compound name
(2S)-2,5-bis(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.13347 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14075 148.1
[M+Na]+ 239.12269 150.2
[M-H]- 215.12619 147.6
[M+NH4]+ 234.16729 163.5
[M+K]+ 255.09663 151.1
[M+H-H2O]+ 199.13073 139.9
[M+HCOO]- 261.13167 173.4
[M+CH3COO]- 275.14732 205.5
[M+Na-2H]- 237.10814 147.2
[M]+ 216.13292 140.5
[M]- 216.13402 140.5
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