CID 80361912

2-(1h-1,2,3,4-tetrazole-5-amido)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11N5O3
SMILES
C1CC(C(C1)NC(=O)C2=NNN=N2)C(=O)O
InChI
InChI=1S/C8H11N5O3/c14-7(6-10-12-13-11-6)9-5-3-1-2-4(5)8(15)16/h4-5H,1-3H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChIKey
OFZHUHPOFSGOCH-UHFFFAOYSA-N
Compound name
2-(2H-tetrazole-5-carbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08618 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09346 147.7
[M+Na]+ 248.07540 153.3
[M-H]- 224.07890 147.0
[M+NH4]+ 243.12000 161.5
[M+K]+ 264.04934 151.5
[M+H-H2O]+ 208.08344 138.6
[M+HCOO]- 270.08438 164.5
[M+CH3COO]- 284.10003 183.1
[M+Na-2H]- 246.06085 148.4
[M]+ 225.08563 143.0
[M]- 225.08673 143.0
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.