CID 454112

2-ohme 5-nhtetrazolyl-1,3-oxathiolane

Structural Information

Molecular Formula
C5H9N5O2S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2N=C(N=N2)N
InChI
InChI=1S/C5H9N5O2S/c6-5-7-9-10(8-5)3-2-13-4(1-11)12-3/h3-4,11H,1-2H2,(H2,6,8)/t3-,4+/m1/s1
InChIKey
GUPZKPWFSMUVRN-DMTCNVIQSA-N
Compound name
[(2S,5R)-5-(5-aminotetrazol-2-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0477 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05498 139.6
[M+Na]+ 226.03692 149.2
[M-H]- 202.04042 141.1
[M+NH4]+ 221.08152 155.2
[M+K]+ 242.01086 148.0
[M+H-H2O]+ 186.04496 132.2
[M+HCOO]- 248.04590 154.1
[M+CH3COO]- 262.06155 151.7
[M+Na-2H]- 224.02237 139.7
[M]+ 203.04715 139.4
[M]- 203.04825 139.4
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

No patent data available for this compound.