CID 171364948

6-hydroxy-l-homoarginine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12224 Da
Monoisotopic Mass

-4.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.