CID 24853616

1003863-35-1

Structural Information

Molecular Formula
C7H7N3O2S
SMILES
C1C(OC2=CSC=C2O1)CN=[N+]=[N-]
InChI
InChI=1S/C7H7N3O2S/c8-10-9-1-5-2-11-6-3-13-4-7(6)12-5/h3-5H,1-2H2
InChIKey
LJLIOLFSNKQFRG-UHFFFAOYSA-N
Compound name
3-(azidomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.0259 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.033176 136.0
[M+Na]+ 220.015118 143.1
[M-H]- 196.018624 144.3
[M+NH4]+ 215.059723 155.9
[M+K]+ 235.989058 139.0
[M+H-H2O]+ 180.023160 134.4
[M+HCOO]- 242.024101 159.1
[M+CH3COO]- 256.039751 182.8
[M+Na-2H]- 218.000566 146.0
[M]+ 197.02535142 135.8
[M]- 197.02644858 135.8
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