CID 71757429

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H7F2N3O
SMILES
CC(C1=NOC(=N1)C(F)F)N
InChI
InChI=1S/C5H7F2N3O/c1-2(8)4-9-5(3(6)7)11-10-4/h2-3H,8H2,1H3
InChIKey
FXYCMEDFGMVZBX-UHFFFAOYSA-N
Compound name
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.05573 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06301 132.1
[M+Na]+ 186.04495 140.2
[M+NH4]+ 181.08955 137.5
[M+K]+ 202.01889 139.2
[M-H]- 162.04845 130.2
[M+Na-2H]- 184.03040 134.7
[M]+ 163.05518 132.2
[M]- 163.05628 132.2
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.