CID 9085

L-homoarginine

Structural Information

Molecular Formula
C7H16N4O2
SMILES
C(CCN=C(N)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
InChIKey
QUOGESRFPZDMMT-YFKPBYRVSA-N
Compound name
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

461
References

31758
Patents

188.12732 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13460 143.5
[M+Na]+ 211.11654 146.7
[M-H]- 187.12004 142.0
[M+NH4]+ 206.16114 160.6
[M+K]+ 227.09048 146.5
[M+H-H2O]+ 171.12458 136.5
[M+HCOO]- 233.12552 166.8
[M+CH3COO]- 247.14117 193.0
[M+Na-2H]- 209.10199 143.7
[M]+ 188.12677 138.1
[M]- 188.12787 138.1
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