CID 386732

Nsc679278

Structural Information

Molecular Formula
C7H10N2O2S2
SMILES
C1CSC(SC1)COC(=O)C=[N+]=[N-]
InChI
InChI=1S/C7H10N2O2S2/c8-9-4-6(10)11-5-7-12-2-1-3-13-7/h4,7H,1-3,5H2
InChIKey
SGXRLDWHYVZMPR-UHFFFAOYSA-N
Compound name
1,3-dithian-2-ylmethyl 2-diazoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.01837 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02565 142.7
[M+Na]+ 241.00759 146.4
[M-H]- 217.01109 146.0
[M+NH4]+ 236.05219 160.5
[M+K]+ 256.98153 138.6
[M+H-H2O]+ 201.01563 140.4
[M+HCOO]- 263.01657 155.9
[M+CH3COO]- 277.03222 180.8
[M+Na-2H]- 238.99304 145.5
[M]+ 218.01782 137.7
[M]- 218.01892 137.7
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.