CID 10921167

Trichoviridin

Structural Information

Molecular Formula
C8H9NO4
SMILES
C[C@@H]([C@]1([C@H]2[C@H](O2)[C@@]3([C@H]1O3)[N+]#[C-])O)O
InChI
InChI=1S/C8H9NO4/c1-3(10)7(11)4-5(12-4)8(9-2)6(7)13-8/h3-6,10-11H,1H3/t3-,4+,5-,6-,7+,8+/m0/s1
InChIKey
GVXPCFBDZAWTNL-NOVZGDRXSA-N
Compound name
(1R,2S,4R,5R,6S)-5-[(1S)-1-hydroxyethyl]-1-isocyano-3,7-dioxatricyclo[4.1.0.02,4]heptan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

183.05316 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 131.7
[M+Na]+ 206.04238 150.7
[M-H]- 182.04588 138.9
[M+NH4]+ 201.08698 145.0
[M+K]+ 222.01632 140.4
[M+H-H2O]+ 166.05042 132.9
[M+HCOO]- 228.05136 144.4
[M+CH3COO]- 242.06701 192.9
[M+Na-2H]- 204.02783 143.2
[M]+ 183.05261 135.2
[M]- 183.05371 135.2
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