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]+ 126.07742 122.1
[M+Na]+ 148.05936 129.6
[M-H]- 124.06287 120.6
[M+NH4]+ 143.10397 132.0
[M+K]+ 164.03330 130.7
[M+H-H2O]+ 108.06740 108.0
[M+HCOO]- 170.06835 139.1
[M+CH3COO]- 184.08400 133.7
[M+Na-2H]- 146.04481 129.0
[M]+ 125.06960 127.3
[M]- 125.07069 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.