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]+ 196.16959 146.3
[M+Na]+ 218.15153 151.0
[M-H]- 194.15503 151.1
[M+NH4]+ 213.19613 169.0
[M+K]+ 234.12547 149.7
[M+H-H2O]+ 178.15957 140.6
[M+HCOO]- 240.16051 166.5
[M+CH3COO]- 254.17616 191.0
[M+Na-2H]- 216.13698 147.8
[M]+ 195.16176 142.9
[M]- 195.16286 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.