CID 22181536

1228583-52-5

Structural Information

Molecular Formula
C5H9N5
SMILES
C1CNCC1C2=NNN=N2
InChI
InChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)
InChIKey
VYQMPDFYNWSLGY-UHFFFAOYSA-N
Compound name
5-pyrrolidin-3-yl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

139.0858 Da
Monoisotopic Mass

-0.7
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

No literature data available for this compound.

Patent stripe

patents stripe