CID 58415389

950691-49-3

Structural Information

Molecular Formula
C4H7N5
SMILES
C1C(CN1)C2=NNN=N2
InChI
InChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9)
InChIKey
XTUWELXPIPDXIN-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 123.8
[M+Na]+ 148.059363 130.9
[M-H]- 124.062869 121.1
[M+NH4]+ 143.103968 133.0
[M+K]+ 164.033303 131.1
[M+H-H2O]+ 108.067405 109.9
[M+HCOO]- 170.068346 139.4
[M+CH3COO]- 184.083996 134.8
[M+Na-2H]- 146.044811 130.2
[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

patents stripe