CID 82467920

1895436-40-4

Structural Information

Molecular Formula
C7H9N5
SMILES
C1=CN2C(=NC(=N2)CCN)N=C1
InChI
InChI=1S/C7H9N5/c8-3-2-6-10-7-9-4-1-5-12(7)11-6/h1,4-5H,2-3,8H2
InChIKey
PRHVXFAJDQIONB-UHFFFAOYSA-N
Compound name
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0858 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 131.7
[M+Na]+ 186.075018 142.7
[M-H]- 162.078524 131.1
[M+NH4]+ 181.119623 149.6
[M+K]+ 202.048958 139.3
[M+H-H2O]+ 146.083060 123.0
[M+HCOO]- 208.084001 154.2
[M+CH3COO]- 222.099651 145.0
[M+Na-2H]- 184.060466 141.2
[M]+ 163.08525142 132.7
[M]- 163.08634858 132.7
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.