CID 155819975

Rac-(1r,2r)-2-(trifluoromethyl)cyclobutane-1-carboximidamide; acetic acid

Structural Information

Molecular Formula
C6H9F3N2
SMILES
C1C[C@H]([C@@H]1C(=N)N)C(F)(F)F
InChI
InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3(4)5(10)11/h3-4H,1-2H2,(H3,10,11)/t3-,4-/m1/s1
InChIKey
ZIFCTOOWTBSMNE-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07906 136.3
[M+Na]+ 189.06100 141.3
[M-H]- 165.06450 135.5
[M+NH4]+ 184.10560 149.3
[M+K]+ 205.03494 142.6
[M+H-H2O]+ 149.06904 123.0
[M+HCOO]- 211.06998 153.9
[M+CH3COO]- 225.08563 186.4
[M+Na-2H]- 187.04645 138.6
[M]+ 166.07123 135.3
[M]- 166.07233 135.3
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.