CID 193331

Hydroxyhomoarginine

Structural Information

Molecular Formula
C7H16N4O3
SMILES
C(CN=C(N)N)C(C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4?,5-/m0/s1
InChIKey
UFBPWFODSIJGPL-AKGZTFGVSA-N
Compound name
(2S)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

120
Patents

204.12224 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12952 146.8
[M+Na]+ 227.11146 149.2
[M-H]- 203.11496 143.9
[M+NH4]+ 222.15606 162.3
[M+K]+ 243.08540 149.4
[M+H-H2O]+ 187.11950 139.8
[M+HCOO]- 249.12044 167.9
[M+CH3COO]- 263.13609 194.1
[M+Na-2H]- 225.09691 145.2
[M]+ 204.12169 140.2
[M]- 204.12279 140.2
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