CID 703056

108790-79-0

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC12CN3CC(C1=O)(CN(C2)C34CCCC4)C
InChI
InChI=1S/C14H22N2O/c1-12-7-15-9-13(2,11(12)17)10-16(8-12)14(15)5-3-4-6-14/h3-10H2,1-2H3
InChIKey
CBCOTPRGYVAPSP-UHFFFAOYSA-N
Compound name
5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 154.6
[M+Na]+ 257.16244 159.5
[M-H]- 233.16594 150.4
[M+NH4]+ 252.20704 182.2
[M+K]+ 273.13638 154.9
[M+H-H2O]+ 217.17048 145.0
[M+HCOO]- 279.17142 158.9
[M+CH3COO]- 293.18707 163.1
[M+Na-2H]- 255.14789 162.8
[M]+ 234.17267 153.6
[M]- 234.17377 153.6
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.