CID 19005986

156113-71-2

Structural Information

Molecular Formula
C5H9N5
SMILES
C1CNCC1N2C=NN=N2
InChI
InChI=1S/C5H9N5/c1-2-6-3-5(1)10-4-7-8-9-10/h4-6H,1-3H2
InChIKey
RXJFBZDBXKFCDS-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

139.0858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 128.3
[M+Na]+ 162.075018 136.0
[M-H]- 138.078524 126.9
[M+NH4]+ 157.119623 145.3
[M+K]+ 178.048958 134.5
[M+H-H2O]+ 122.083060 118.3
[M+HCOO]- 184.084001 146.0
[M+CH3COO]- 198.099651 140.1
[M+Na-2H]- 160.060466 132.5
[M]+ 139.08525142 123.6
[M]- 139.08634858 123.6
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