CID 495449

Nsc655361

Structural Information

Molecular Formula
C10H11N5O5
SMILES
CC1=C2N(C3C(C(O2)C(O3)CO)N=[N+]=[N-])C(=O)NC1=O
InChI
InChI=1S/C10H11N5O5/c1-3-7(17)12-10(18)15-8(3)20-6-4(2-16)19-9(15)5(6)13-14-11/h4-6,9,16H,2H2,1H3,(H,12,17,18)
InChIKey
RMQQJDKJQOKTQA-UHFFFAOYSA-N
Compound name
12-azido-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07602 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08330 156.3
[M+Na]+ 304.06524 165.6
[M-H]- 280.06874 159.8
[M+NH4]+ 299.10984 170.4
[M+K]+ 320.03918 159.4
[M+H-H2O]+ 264.07328 153.7
[M+HCOO]- 326.07422 176.4
[M+CH3COO]- 340.08987 199.1
[M+Na-2H]- 302.05069 167.2
[M]+ 281.07547 156.7
[M]- 281.07657 156.7
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.