CID 67427

N-acetyl-l-arginine

Structural Information

Molecular Formula
C8H16N4O3
SMILES
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
InChIKey
SNEIUMQYRCDYCH-LURJTMIESA-N
Compound name
(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

2207
Patents

216.12224 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.129516 150.2
[M+Na]+ 239.111458 153.0
[M-H]- 215.114964 149.1
[M+NH4]+ 234.156063 166.3
[M+K]+ 255.085398 153.4
[M+H-H2O]+ 199.119500 143.0
[M+HCOO]- 261.120441 173.3
[M+CH3COO]- 275.136091 198.2
[M+Na-2H]- 237.096906 149.8
[M]+ 216.12169142 146.1
[M]- 216.12278858 146.1
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