CID 63031322

2408962-28-5

Structural Information

Molecular Formula
C6H11N5
SMILES
C1CNCC1C2=NC(=NN2)N
InChI
InChI=1S/C6H11N5/c7-6-9-5(10-11-6)4-1-2-8-3-4/h4,8H,1-3H2,(H3,7,9,10,11)
InChIKey
PUSXMVRYMKLKFB-UHFFFAOYSA-N
Compound name
5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.10144 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10872 132.1
[M+Na]+ 176.09066 139.1
[M-H]- 152.09416 130.7
[M+NH4]+ 171.13526 149.1
[M+K]+ 192.06460 135.9
[M+H-H2O]+ 136.09870 123.1
[M+HCOO]- 198.09964 149.9
[M+CH3COO]- 212.11529 143.2
[M+Na-2H]- 174.07611 134.7
[M]+ 153.10089 124.3
[M]- 153.10199 124.3
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.