CID 586797

5,7-dimethyl-6-oxo-1,3-diazaadamantane hydrochloride

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC12CN3CC(C1=O)(CN(C2)C3)C
InChI
InChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3
InChIKey
XGTRHKDYLMRKHW-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 142.8
[M+Na]+ 203.11549 148.4
[M-H]- 179.11899 136.4
[M+NH4]+ 198.16009 169.2
[M+K]+ 219.08943 145.7
[M+H-H2O]+ 163.12353 135.1
[M+HCOO]- 225.12447 148.7
[M+CH3COO]- 239.14012 152.3
[M+Na-2H]- 201.10094 155.2
[M]+ 180.12572 144.0
[M]- 180.12682 144.0
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