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]+ 182.14003 139.6
[M+Na]+ 204.12197 146.6
[M-H]- 180.12547 140.5
[M+NH4]+ 199.16657 156.9
[M+K]+ 220.09591 144.7
[M+H-H2O]+ 164.13001 129.8
[M+HCOO]- 226.13095 159.8
[M+CH3COO]- 240.14660 151.3
[M+Na-2H]- 202.10742 142.1
[M]+ 181.13220 136.1
[M]- 181.13330 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.