CID 10261161

5-(pyrrolidin-2-yl)-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C5H9N5
SMILES
C1CC(NC1)C2=NNN=N2
InChI
InChI=1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)
InChIKey
XUHYQIQIENDJER-UHFFFAOYSA-N
Compound name
5-pyrrolidin-2-yl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

266
Patents

139.0858 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.09308 129.0
[M+Na]+ 162.07502 136.4
[M-H]- 138.07852 126.4
[M+NH4]+ 157.11962 145.4
[M+K]+ 178.04896 133.9
[M+H-H2O]+ 122.08306 119.3
[M+HCOO]- 184.08400 145.3
[M+CH3COO]- 198.09965 140.1
[M+Na-2H]- 160.06047 132.8
[M]+ 139.08525 122.6
[M]- 139.08635 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe