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]+ 198.11003 141.0
[M+Na]+ 220.09197 146.0
[M-H]- 196.09547 139.3
[M+NH4]+ 215.13657 161.1
[M+K]+ 236.06591 144.7
[M+H-H2O]+ 180.10001 133.0
[M+HCOO]- 242.10095 158.4
[M+CH3COO]- 256.11660 184.1
[M+Na-2H]- 218.07742 142.4
[M]+ 197.10220 133.0
[M]- 197.10330 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.