CID 10377006

L-gizzerosine

Structural Information

Molecular Formula
C11H20N4O2
SMILES
C1=C(NC=N1)CCNCCCCC(C(=O)O)N
InChI
InChI=1S/C11H20N4O2/c12-10(11(16)17)3-1-2-5-13-6-4-9-7-14-8-15-9/h7-8,10,13H,1-6,12H2,(H,14,15)(H,16,17)
InChIKey
LFNFNJYYTXESHV-UHFFFAOYSA-N
Compound name
2-amino-6-[2-(1H-imidazol-5-yl)ethylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

17
Patents

240.15863 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16591 156.5
[M+Na]+ 263.14785 159.7
[M-H]- 239.15135 153.5
[M+NH4]+ 258.19245 170.4
[M+K]+ 279.12179 156.8
[M+H-H2O]+ 223.15589 148.0
[M+HCOO]- 285.15683 175.6
[M+CH3COO]- 299.17248 192.1
[M+Na-2H]- 261.13330 157.8
[M]+ 240.15808 153.3
[M]- 240.15918 153.3
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