CID 43082686

3-[(2,2,2-trifluoroethyl)amino]propanenitrile hydrochloride

Structural Information

Molecular Formula
C5H7F3N2
SMILES
C(CNCC(F)(F)F)C#N
InChI
InChI=1S/C5H7F3N2/c6-5(7,8)4-10-3-1-2-9/h10H,1,3-4H2
InChIKey
GCKLCVKCWUMFFB-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06342 123.4
[M+Na]+ 175.04536 131.9
[M-H]- 151.04886 120.5
[M+NH4]+ 170.08996 142.0
[M+K]+ 191.01930 131.5
[M+H-H2O]+ 135.05340 110.1
[M+HCOO]- 197.05434 140.7
[M+CH3COO]- 211.06999 190.8
[M+Na-2H]- 173.03081 129.9
[M]+ 152.05559 114.5
[M]- 152.05669 114.5
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.