CID 3044446

Brn 0516056

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC(C)(C)C(=O)N1C2CCC1CN(C2)C
InChI
InChI=1S/C12H22N2O/c1-12(2,3)11(15)14-9-5-6-10(14)8-13(4)7-9/h9-10H,5-8H2,1-4H3
InChIKey
ZABAWUZJJPYGTP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 153.7
[M+Na]+ 233.16244 159.9
[M-H]- 209.16594 153.4
[M+NH4]+ 228.20704 173.8
[M+K]+ 249.13638 158.1
[M+H-H2O]+ 193.17048 147.9
[M+HCOO]- 255.17142 167.1
[M+CH3COO]- 269.18707 189.1
[M+Na-2H]- 231.14789 156.0
[M]+ 210.17267 151.7
[M]- 210.17377 151.7
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

patents stripe