CID 155819944

Rac-(1r,2r)-n'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1C[C@H]([C@@H]1/C(=N/O)/N)C(F)(F)F
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(4)5(10)11-12/h3-4,12H,1-2H2,(H2,10,11)/t3-,4-/m1/s1
InChIKey
JJSOITKVOXFROC-QWWZWVQMSA-N
Compound name
(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 138.8
[M+Na]+ 205.05592 143.7
[M-H]- 181.05942 138.0
[M+NH4]+ 200.10052 151.1
[M+K]+ 221.02986 145.6
[M+H-H2O]+ 165.06396 125.3
[M+HCOO]- 227.06490 156.6
[M+CH3COO]- 241.08055 187.7
[M+Na-2H]- 203.04137 141.2
[M]+ 182.06615 139.1
[M]- 182.06725 139.1
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.