CID 13147050

2-((dimethylamino)methyl)hexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C12H21NO
SMILES
CN(C)CC1CC2CCCCC2C1=O
InChI
InChI=1S/C12H21NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h9-11H,3-8H2,1-2H3
InChIKey
VUWXXHJZEITBHN-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 146.3
[M+Na]+ 218.151528 151.0
[M-H]- 194.155034 151.1
[M+NH4]+ 213.196133 169.0
[M+K]+ 234.125468 149.7
[M+H-H2O]+ 178.159570 140.6
[M+HCOO]- 240.160511 166.5
[M+CH3COO]- 254.176161 191.0
[M+Na-2H]- 216.136976 147.8
[M]+ 195.16176142 142.9
[M]- 195.16285858 142.9
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.