CID 46703629

3-(1h-1,2,3,4-tetrazol-5-yl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C4H7N5O
SMILES
C1C(CN1)(C2=NNN=N2)O
InChI
InChI=1S/C4H7N5O/c10-4(1-5-2-4)3-6-8-9-7-3/h5,10H,1-2H2,(H,6,7,8,9)
InChIKey
ZOVOOPMAZDPUGR-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

141.06506 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 129.4
[M+Na]+ 164.05428 136.6
[M-H]- 140.05778 125.8
[M+NH4]+ 159.09888 139.1
[M+K]+ 180.02822 136.6
[M+H-H2O]+ 124.06232 116.5
[M+HCOO]- 186.06326 143.7
[M+CH3COO]- 200.07891 139.8
[M+Na-2H]- 162.03973 136.1
[M]+ 141.06451 132.7
[M]- 141.06561 132.7
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.