CID 139026461

2361644-13-3

Structural Information

Molecular Formula
C8H12F3NO
SMILES
COC1(CC2(C1)CNC2)C(F)(F)F
InChI
InChI=1S/C8H12F3NO/c1-13-7(8(9,10)11)2-6(3-7)4-12-5-6/h12H,2-5H2,1H3
InChIKey
DEDKPFSXACNPJH-UHFFFAOYSA-N
Compound name
6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 139.5
[M+Na]+ 218.07632 145.2
[M-H]- 194.07982 139.4
[M+NH4]+ 213.12092 147.9
[M+K]+ 234.05026 148.2
[M+H-H2O]+ 178.08436 125.9
[M+HCOO]- 240.08530 151.6
[M+CH3COO]- 254.10095 191.6
[M+Na-2H]- 216.06177 145.4
[M]+ 195.08655 150.1
[M]- 195.08765 150.1
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.