CID 6450263

Latumcidin

Structural Information

Molecular Formula
C10H11NO
SMILES
C/C=C\1/C=CC2=NCC[C@@H]3[C@]12O3
InChI
InChI=1S/C10H11NO/c1-2-7-3-4-8-10(7)9(12-10)5-6-11-8/h2-4,9H,5-6H2,1H3/b7-2-/t9-,10+/m1/s1
InChIKey
KQSFHAWSULOGRI-LPPIIHRRSA-N
Compound name
(1S,3R,10Z)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]deca-6,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

161.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 136.3
[M+Na]+ 184.07328 150.4
[M+NH4]+ 179.11788 148.0
[M+K]+ 200.04722 144.9
[M-H]- 160.07678 146.8
[M+Na-2H]- 182.05873 144.8
[M]+ 161.08351 142.6
[M]- 161.08461 142.6
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