CID 84649792

2138272-00-9

Structural Information

Molecular Formula
C6H11N5
SMILES
C1CNCC1CC2=NNN=N2
InChI
InChI=1S/C6H11N5/c1-2-7-4-5(1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKey
WWARKOXYFCMWRR-UHFFFAOYSA-N
Compound name
5-(pyrrolidin-3-ylmethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.10144 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 133.2
[M+Na]+ 176.090658 140.1
[M-H]- 152.094164 130.4
[M+NH4]+ 171.135263 149.0
[M+K]+ 192.064598 137.4
[M+H-H2O]+ 136.098700 123.4
[M+HCOO]- 198.099641 149.2
[M+CH3COO]- 212.115291 143.9
[M+Na-2H]- 174.076106 136.5
[M]+ 153.10089142 127.1
[M]- 153.10198858 127.1
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

No patent data available for this compound.