CID 102988362

3-(2,2-difluoroethoxy)pyrazin-2-amine

Structural Information

Molecular Formula
C6H7F2N3O
SMILES
C1=CN=C(C(=N1)N)OCC(F)F
InChI
InChI=1S/C6H7F2N3O/c7-4(8)3-12-6-5(9)10-1-2-11-6/h1-2,4H,3H2,(H2,9,10)
InChIKey
HCALTEGTIZHQEZ-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

175.05573 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06301 131.8
[M+Na]+ 198.04495 140.4
[M-H]- 174.04845 129.9
[M+NH4]+ 193.08955 148.8
[M+K]+ 214.01889 138.5
[M+H-H2O]+ 158.05299 122.6
[M+HCOO]- 220.05393 152.2
[M+CH3COO]- 234.06958 181.2
[M+Na-2H]- 196.03040 137.9
[M]+ 175.05518 128.8
[M]- 175.05628 128.8
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

patents stripe