CID 177800283

Methyl 1-(2h-1,2,3,4-tetrazol-5-yl)azetidine-3-carboxylate

Structural Information

Molecular Formula
C6H9N5O2
SMILES
COC(=O)C1CN(C1)C2=NNN=N2
InChI
InChI=1S/C6H9N5O2/c1-13-5(12)4-2-11(3-4)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,7,8,9,10)
InChIKey
FCBQLNDDMCLFKW-UHFFFAOYSA-N
Compound name
methyl 1-(2H-tetrazol-5-yl)azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07562 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 137.8
[M+Na]+ 206.064838 144.8
[M-H]- 182.068344 136.5
[M+NH4]+ 201.109443 145.3
[M+K]+ 222.038778 146.2
[M+H-H2O]+ 166.072880 123.4
[M+HCOO]- 228.073821 153.6
[M+CH3COO]- 242.089471 180.4
[M+Na-2H]- 204.050286 141.6
[M]+ 183.07507142 145.3
[M]- 183.07616858 145.3
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.