CID 66276003

154956-89-5

Structural Information

Molecular Formula
C6H11N5
SMILES
C1CCN(C1)C2=NNC(=N2)N
InChI
InChI=1S/C6H11N5/c7-5-8-6(10-9-5)11-3-1-2-4-11/h1-4H2,(H3,7,8,9,10)
InChIKey
KAMUXTGRBIHCDT-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 131.5
[M+Na]+ 176.09066 138.9
[M-H]- 152.09416 131.4
[M+NH4]+ 171.13526 149.2
[M+K]+ 192.06460 136.6
[M+H-H2O]+ 136.09870 122.3
[M+HCOO]- 198.09964 150.9
[M+CH3COO]- 212.11529 143.4
[M+Na-2H]- 174.07611 134.6
[M]+ 153.10089 125.5
[M]- 153.10199 125.5
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