CID 165687942

1-(1h-1,2,3,4-tetrazol-5-yl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1CCC(C1)(C2=NNN=N2)C(=O)O
InChI
InChI=1S/C7H10N4O2/c12-6(13)7(3-1-2-4-7)5-8-10-11-9-5/h1-4H2,(H,12,13)(H,8,9,10,11)
InChIKey
HPYXTZKWSUZKNB-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 137.7
[M+Na]+ 205.06959 144.9
[M-H]- 181.07309 136.8
[M+NH4]+ 200.11419 155.5
[M+K]+ 221.04353 143.1
[M+H-H2O]+ 165.07763 129.5
[M+HCOO]- 227.07857 154.5
[M+CH3COO]- 241.09422 149.0
[M+Na-2H]- 203.05504 141.0
[M]+ 182.07982 133.3
[M]- 182.08092 133.3
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.