CID 15526

Brn 1345894

Structural Information

Molecular Formula
C15H28N2O
SMILES
CC(C(=O)N1CC2CCC(C1)(C2(C)C)C)N(C)C
InChI
InChI=1S/C15H28N2O/c1-11(16(5)6)13(18)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3
InChIKey
ALLGOMJALBGKDY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.22017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.22745 161.9
[M+Na]+ 275.20939 167.2
[M-H]- 251.21289 164.1
[M+NH4]+ 270.25399 185.7
[M+K]+ 291.18333 166.4
[M+H-H2O]+ 235.21743 157.0
[M+HCOO]- 297.21837 177.5
[M+CH3COO]- 311.23402 204.2
[M+Na-2H]- 273.19484 163.0
[M]+ 252.21962 161.4
[M]- 252.22072 161.4
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.