CID 818050

176976-54-8

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC1(CC2(CCO1)N3CC4(CN2CC(C3)(C4=O)C)C)C
InChI
InChI=1S/C16H26N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3
InChIKey
WQRVDNZVISFEBP-UHFFFAOYSA-N
Compound name
2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

278.19943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 173.0
[M+Na]+ 301.18865 182.4
[M+NH4]+ 296.23325 188.3
[M+K]+ 317.16259 168.2
[M-H]- 277.19215 172.6
[M+Na-2H]- 299.17410 172.5
[M]+ 278.19888 174.9
[M]- 278.19998 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe