CID 14705

Brn 1081731

Structural Information

Molecular Formula
C20H28FNO2
SMILES
CC1CC2(CCN(C2)CCCC(=O)C3=CC=C(C=C3)F)CC(O1)C
InChI
InChI=1S/C20H28FNO2/c1-15-12-20(13-16(2)24-15)9-11-22(14-20)10-3-4-19(23)17-5-7-18(21)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKey
QICDRFZUEJYNEL-UHFFFAOYSA-N
Compound name
4-(7,9-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21770 182.3
[M+Na]+ 356.19964 187.0
[M-H]- 332.20314 187.9
[M+NH4]+ 351.24424 197.3
[M+K]+ 372.17358 183.5
[M+H-H2O]+ 316.20768 173.2
[M+HCOO]- 378.20862 195.9
[M+CH3COO]- 392.22427 210.1
[M+Na-2H]- 354.18509 180.2
[M]+ 333.20987 178.2
[M]- 333.21097 178.2
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.