CID 71757431

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

Structural Information

Molecular Formula
C7H9F2N3O
SMILES
C1CC(C1)(C2=NOC(=N2)C(F)F)N
InChI
InChI=1S/C7H9F2N3O/c8-4(9)5-11-6(12-13-5)7(10)2-1-3-7/h4H,1-3,10H2
InChIKey
AFZIMNHTNWFTRJ-UHFFFAOYSA-N
Compound name
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07137 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07865 135.5
[M+Na]+ 212.06059 142.4
[M-H]- 188.06409 137.5
[M+NH4]+ 207.10519 147.7
[M+K]+ 228.03453 144.7
[M+H-H2O]+ 172.06863 122.2
[M+HCOO]- 234.06957 153.6
[M+CH3COO]- 248.08522 185.3
[M+Na-2H]- 210.04604 139.8
[M]+ 189.07082 140.3
[M]- 189.07192 140.3
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.