CID 100440

Cairomycin b

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1CCNC(=O)CC2C(=O)NC(C1)C(=O)N2
InChI
InChI=1S/C10H15N3O3/c14-8-5-7-10(16)12-6(9(15)13-7)3-1-2-4-11-8/h6-7H,1-5H2,(H,11,14)(H,12,16)(H,13,15)
InChIKey
BFKVJADDVUKUIU-UHFFFAOYSA-N
Compound name
4,10,12-triazabicyclo[7.2.2]tridecane-3,11,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

225.11134 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 160.7
[M+Na]+ 248.10056 163.0
[M-H]- 224.10406 139.2
[M+NH4]+ 243.14516 173.8
[M+K]+ 264.07450 161.7
[M+H-H2O]+ 208.10860 161.6
[M+HCOO]- 270.10954 158.6
[M+CH3COO]- 284.12519 163.9
[M+Na-2H]- 246.08601 168.3
[M]+ 225.11079 153.8
[M]- 225.11189 153.8
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.