CID 139026532

N-({6-azaspiro[3.4]octan-8-yl}methyl)-2,2,2-trifluoroacetamide hydrochloride

Structural Information

Molecular Formula
C10H15F3N2O
SMILES
C1CC2(C1)CNCC2CNC(=O)C(F)(F)F
InChI
InChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-5-7-4-14-6-9(7)2-1-3-9/h7,14H,1-6H2,(H,15,16)
InChIKey
DUVVDYZKTFGEBD-UHFFFAOYSA-N
Compound name
N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12093 152.4
[M+Na]+ 259.10287 156.1
[M-H]- 235.10637 150.9
[M+NH4]+ 254.14747 165.0
[M+K]+ 275.07681 156.0
[M+H-H2O]+ 219.11091 139.7
[M+HCOO]- 281.11185 165.5
[M+CH3COO]- 295.12750 190.4
[M+Na-2H]- 257.08832 154.4
[M]+ 236.11310 151.2
[M]- 236.11420 151.2
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.