CID 73994595

2-cyclopentyl-6-(trifluoromethyl)morpholine

Structural Information

Molecular Formula
C10H16F3NO
SMILES
C1CCC(C1)C2CNCC(O2)C(F)(F)F
InChI
InChI=1S/C10H16F3NO/c11-10(12,13)9-6-14-5-8(15-9)7-3-1-2-4-7/h7-9,14H,1-6H2
InChIKey
PQRFYIAFENWTLV-UHFFFAOYSA-N
Compound name
2-cyclopentyl-6-(trifluoromethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12568 148.4
[M+Na]+ 246.10762 152.7
[M-H]- 222.11112 147.7
[M+NH4]+ 241.15222 164.6
[M+K]+ 262.08156 150.6
[M+H-H2O]+ 206.11566 139.5
[M+HCOO]- 268.11660 159.3
[M+CH3COO]- 282.13225 182.8
[M+Na-2H]- 244.09307 149.6
[M]+ 223.11785 136.7
[M]- 223.11895 136.7
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.