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]+ 183.087646 137.7
[M+Na]+ 205.069588 144.9
[M-H]- 181.073094 136.8
[M+NH4]+ 200.114193 155.5
[M+K]+ 221.043528 143.1
[M+H-H2O]+ 165.077630 129.5
[M+HCOO]- 227.078571 154.5
[M+CH3COO]- 241.094221 149.0
[M+Na-2H]- 203.055036 141.0
[M]+ 182.07982142 133.3
[M]- 182.08091858 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.