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]+ 154.108716 131.5
[M+Na]+ 176.090658 138.9
[M-H]- 152.094164 131.4
[M+NH4]+ 171.135263 149.2
[M+K]+ 192.064598 136.6
[M+H-H2O]+ 136.098700 122.3
[M+HCOO]- 198.099641 150.9
[M+CH3COO]- 212.115291 143.4
[M+Na-2H]- 174.076106 134.6
[M]+ 153.10089142 125.5
[M]- 153.10198858 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