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

8
Patents

139.0858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.09308 128.3
[M+Na]+ 162.07502 136.0
[M-H]- 138.07852 126.9
[M+NH4]+ 157.11962 145.3
[M+K]+ 178.04896 134.5
[M+H-H2O]+ 122.08306 118.3
[M+HCOO]- 184.08400 146.0
[M+CH3COO]- 198.09965 140.1
[M+Na-2H]- 160.06047 132.5
[M]+ 139.08525 123.6
[M]- 139.08635 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