CID 367343

Nsc636970

Structural Information

Molecular Formula
C8H9N5O2
SMILES
C1C(COC2=NC(=NC3=C2N1C=N3)N)O
InChI
InChI=1S/C8H9N5O2/c9-8-11-6-5-7(12-8)15-2-4(14)1-13(5)3-10-6/h3-4,14H,1-2H2,(H2,9,11,12)
InChIKey
QZMOZYLKJQQDRH-UHFFFAOYSA-N
Compound name
6-amino-9-oxa-1,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.07562 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08290 142.4
[M+Na]+ 230.06484 152.9
[M-H]- 206.06834 143.7
[M+NH4]+ 225.10944 157.3
[M+K]+ 246.03878 153.8
[M+H-H2O]+ 190.07288 133.2
[M+HCOO]- 252.07382 159.3
[M+CH3COO]- 266.08947 154.3
[M+Na-2H]- 228.05029 150.6
[M]+ 207.07507 141.2
[M]- 207.07617 141.2
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.