CID 132327968

3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile

Structural Information

Molecular Formula
C7H9F3N2
SMILES
C1CC1NC(CC#N)C(F)(F)F
InChI
InChI=1S/C7H9F3N2/c8-7(9,10)6(3-4-11)12-5-1-2-5/h5-6,12H,1-3H2
InChIKey
KLRUIZKBNUZBKN-UHFFFAOYSA-N
Compound name
3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07178 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07906 124.3
[M+Na]+ 201.06100 137.7
[M-H]- 177.06450 126.8
[M+NH4]+ 196.10560 139.3
[M+K]+ 217.03494 132.9
[M+H-H2O]+ 161.06904 112.7
[M+HCOO]- 223.06998 142.5
[M+CH3COO]- 237.08563 198.1
[M+Na-2H]- 199.04645 131.4
[M]+ 178.07123 118.8
[M]- 178.07233 118.8
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.