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]+ 154.10872 133.2
[M+Na]+ 176.09066 140.1
[M-H]- 152.09416 130.4
[M+NH4]+ 171.13526 149.0
[M+K]+ 192.06460 137.4
[M+H-H2O]+ 136.09870 123.4
[M+HCOO]- 198.09964 149.2
[M+CH3COO]- 212.11529 143.9
[M+Na-2H]- 174.07611 136.5
[M]+ 153.10089 127.1
[M]- 153.10199 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.