CID 107912121

1-[2-(pyrrolidin-1-yl)ethyl]-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H15N5
SMILES
C1CCN(C1)CCN2C=NC(=N2)N
InChI
InChI=1S/C8H15N5/c9-8-10-7-13(11-8)6-5-12-3-1-2-4-12/h7H,1-6H2,(H2,9,11)
InChIKey
OUCGEROWMMUVQD-UHFFFAOYSA-N
Compound name
1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.13275 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.140026 139.6
[M+Na]+ 204.121968 146.6
[M-H]- 180.125474 140.5
[M+NH4]+ 199.166573 156.9
[M+K]+ 220.095908 144.7
[M+H-H2O]+ 164.130010 129.8
[M+HCOO]- 226.130951 159.8
[M+CH3COO]- 240.146601 151.3
[M+Na-2H]- 202.107416 142.1
[M]+ 181.13220142 136.1
[M]- 181.13329858 136.1
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.