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]+ 164.09308 131.7
[M+Na]+ 186.07502 142.7
[M-H]- 162.07852 131.1
[M+NH4]+ 181.11962 149.6
[M+K]+ 202.04896 139.3
[M+H-H2O]+ 146.08306 123.0
[M+HCOO]- 208.08400 154.2
[M+CH3COO]- 222.09965 145.0
[M+Na-2H]- 184.06047 141.2
[M]+ 163.08525 132.7
[M]- 163.08635 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.