CID 43752845

1158020-65-5

Structural Information

Molecular Formula
C8H14F3NO
SMILES
C1CCC(C1)OC(CN)C(F)(F)F
InChI
InChI=1S/C8H14F3NO/c9-8(10,11)7(5-12)13-6-3-1-2-4-6/h6-7H,1-5,12H2
InChIKey
KLIHMQYILBXQAC-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.110026 141.0
[M+Na]+ 220.091968 146.0
[M-H]- 196.095474 139.3
[M+NH4]+ 215.136573 161.1
[M+K]+ 236.065908 144.7
[M+H-H2O]+ 180.100010 133.0
[M+HCOO]- 242.100951 158.4
[M+CH3COO]- 256.116601 184.1
[M+Na-2H]- 218.077416 142.4
[M]+ 197.10220142 133.0
[M]- 197.10329858 133.0
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.