CID 58395999

2416219-18-4

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1[C@@H]2[C@@H](CN1)OCC3=CN=NN23
InChI
InChI=1S/C7H10N4O/c1-5-4-12-7-3-8-2-6(7)11(5)10-9-1/h1,6-8H,2-4H2/t6-,7-/m1/s1
InChIKey
NBIDLIZADHZXAD-RNFRBKRXSA-N
Compound name
(2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

166.08546 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.092736 133.6
[M+Na]+ 189.074678 142.1
[M-H]- 165.078184 132.7
[M+NH4]+ 184.119283 152.1
[M+K]+ 205.048618 140.5
[M+H-H2O]+ 149.082720 125.6
[M+HCOO]- 211.083661 148.2
[M+CH3COO]- 225.099311 145.5
[M+Na-2H]- 187.060126 138.8
[M]+ 166.08491142 130.4
[M]- 166.08600858 130.4
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

patents stripe