CID 92150

Phospho-l-arginine

Structural Information

Molecular Formula
C6H15N4O5P
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)NP(=O)(O)O
InChI
InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1
InChIKey
CCTIOCVIZPCTGO-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-[[amino-(phosphonoamino)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

100
References

2093
Patents

254.078 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08528 154.0
[M+Na]+ 277.06722 156.3
[M-H]- 253.07072 149.1
[M+NH4]+ 272.11182 167.5
[M+K]+ 293.04116 156.7
[M+H-H2O]+ 237.07526 145.2
[M+HCOO]- 299.07620 179.5
[M+CH3COO]- 313.09185 198.7
[M+Na-2H]- 275.05267 152.8
[M]+ 254.07745 149.6
[M]- 254.07855 149.6
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