CID 167726298

7-ethynylpyrrolo[2,1-f][1,2,4]triazin-4-amine

Structural Information

Molecular Formula
C8H6N4
SMILES
C#CC1=CC=C2N1N=CN=C2N
InChI
InChI=1S/C8H6N4/c1-2-6-3-4-7-8(9)10-5-11-12(6)7/h1,3-5H,(H2,9,10,11)
InChIKey
XIGPCQSEHHUDSC-UHFFFAOYSA-N
Compound name
7-ethynylpyrrolo[2,1-f][1,2,4]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 131.8
[M+Na]+ 181.04847 144.7
[M-H]- 157.05197 130.3
[M+NH4]+ 176.09307 148.7
[M+K]+ 197.02241 139.4
[M+H-H2O]+ 141.05651 117.4
[M+HCOO]- 203.05745 148.9
[M+CH3COO]- 217.07310 143.5
[M+Na-2H]- 179.03392 138.2
[M]+ 158.05870 126.3
[M]- 158.05980 126.3
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.