CID 10261161

5-(pyrrolidin-2-yl)-2h-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

221
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 128.7
[M+Na]+ 162.07502 138.3
[M+NH4]+ 157.11962 135.1
[M+K]+ 178.04896 137.7
[M-H]- 138.07852 127.5
[M+Na-2H]- 160.06047 133.8
[M]+ 139.08525 129.2
[M]- 139.08635 129.2
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