CID 6156

Brn 1348999

Structural Information

Molecular Formula
C21H30FNO
SMILES
CC1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H30FNO/c1-17-8-10-21(11-9-17)12-15-23(16-13-21)14-2-3-20(24)18-4-6-19(22)7-5-18/h4-7,17H,2-3,8-16H2,1H3
InChIKey
TZMUXPLBLRPQFF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23842 184.2
[M+Na]+ 354.22036 186.3
[M-H]- 330.22386 187.8
[M+NH4]+ 349.26496 198.1
[M+K]+ 370.19430 181.2
[M+H-H2O]+ 314.22840 173.4
[M+HCOO]- 376.22934 195.7
[M+CH3COO]- 390.24499 210.4
[M+Na-2H]- 352.20581 182.9
[M]+ 331.23059 175.5
[M]- 331.23169 175.5
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.