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

41
Patents

139.0858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 129.0
[M+Na]+ 162.075018 136.4
[M-H]- 138.078524 126.4
[M+NH4]+ 157.119623 145.4
[M+K]+ 178.048958 133.9
[M+H-H2O]+ 122.083060 119.3
[M+HCOO]- 184.084001 145.3
[M+CH3COO]- 198.099651 140.1
[M+Na-2H]- 160.060466 132.8
[M]+ 139.08525142 122.6
[M]- 139.08634858 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

No literature data available for this compound.

Patent stripe

patents stripe