CID 165823028

2825011-69-4

Structural Information

Molecular Formula
C4H7N5
SMILES
C1C(CN1)N2C=NN=N2
InChI
InChI=1S/C4H7N5/c1-4(2-5-1)9-3-6-7-8-9/h3-5H,1-2H2
InChIKey
VBJFKLNTZIHQGK-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.070145 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.077421 122.1
[M+Na]+ 148.059363 129.6
[M-H]- 124.062869 120.6
[M+NH4]+ 143.103968 132.0
[M+K]+ 164.033303 130.7
[M+H-H2O]+ 108.067405 108.0
[M+HCOO]- 170.068346 139.1
[M+CH3COO]- 184.083996 133.7
[M+Na-2H]- 146.044811 129.0
[M]+ 125.06959642 127.3
[M]- 125.07069358 127.3
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.