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]+ 224.125676 148.4
[M+Na]+ 246.107618 152.7
[M-H]- 222.111124 147.7
[M+NH4]+ 241.152223 164.6
[M+K]+ 262.081558 150.6
[M+H-H2O]+ 206.115660 139.5
[M+HCOO]- 268.116601 159.3
[M+CH3COO]- 282.132251 182.8
[M+Na-2H]- 244.093066 149.6
[M]+ 223.11785142 136.7
[M]- 223.11894858 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.