CID 119026121

N-carbomethoxyarginine

Structural Information

Molecular Formula
C8H16N4O4
SMILES
COC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C8H16N4O4/c1-16-8(15)12-5(6(13)14)3-2-4-11-7(9)10/h5H,2-4H2,1H3,(H,12,15)(H,13,14)(H4,9,10,11)/t5-/m0/s1
InChIKey
WXFJKKQCYVDUIM-YFKPBYRVSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(methoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.11716 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12444 152.2
[M+Na]+ 255.10638 155.0
[M-H]- 231.10988 151.2
[M+NH4]+ 250.15098 167.7
[M+K]+ 271.08032 156.0
[M+H-H2O]+ 215.11442 144.8
[M+HCOO]- 277.11536 175.6
[M+CH3COO]- 291.13101 199.8
[M+Na-2H]- 253.09183 152.0
[M]+ 232.11661 149.5
[M]- 232.11771 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.