CID 104046258

1564890-52-3

Structural Information

Molecular Formula
C7H8F3N3O
SMILES
C1CC1NCC2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C7H8F3N3O/c8-7(9,10)6-12-5(13-14-6)3-11-4-1-2-4/h4,11H,1-3H2
InChIKey
NEACKGRVIPWVPS-UHFFFAOYSA-N
Compound name
N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06923 138.0
[M+Na]+ 230.05117 148.5
[M-H]- 206.05467 140.0
[M+NH4]+ 225.09577 149.7
[M+K]+ 246.02511 145.7
[M+H-H2O]+ 190.05921 127.8
[M+HCOO]- 252.06015 157.2
[M+CH3COO]- 266.07580 188.2
[M+Na-2H]- 228.03662 144.5
[M]+ 207.06140 137.6
[M]- 207.06250 137.6
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.