CID 64260285

1340357-95-0

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CN1C(=NN=N1)N2CC(C2)C(=O)O
InChI
InChI=1S/C6H9N5O2/c1-10-6(7-8-9-10)11-2-4(3-11)5(12)13/h4H,2-3H2,1H3,(H,12,13)
InChIKey
LYSASALARDKFIC-UHFFFAOYSA-N
Compound name
1-(1-methyltetrazol-5-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 138.6
[M+Na]+ 206.064838 146.3
[M-H]- 182.068344 137.7
[M+NH4]+ 201.109443 146.3
[M+K]+ 222.038778 147.7
[M+H-H2O]+ 166.072880 124.5
[M+HCOO]- 228.073821 154.3
[M+CH3COO]- 242.089471 182.2
[M+Na-2H]- 204.050286 141.5
[M]+ 183.07507142 146.5
[M]- 183.07616858 146.5
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.