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]+ 184.08290 138.6
[M+Na]+ 206.06484 146.3
[M-H]- 182.06834 137.7
[M+NH4]+ 201.10944 146.3
[M+K]+ 222.03878 147.7
[M+H-H2O]+ 166.07288 124.5
[M+HCOO]- 228.07382 154.3
[M+CH3COO]- 242.08947 182.2
[M+Na-2H]- 204.05029 141.5
[M]+ 183.07507 146.5
[M]- 183.07617 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.