CID 3021249

2-((dimethylamino)methyl)-3-methyl-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC1C(C(=O)C2=C1CCCC2)CN(C)C
InChI
InChI=1S/C13H21NO/c1-9-10-6-4-5-7-11(10)13(15)12(9)8-14(2)3/h9,12H,4-8H2,1-3H3
InChIKey
KXSATPRYVQTONE-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-methyl-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 148.6
[M+Na]+ 230.151528 154.9
[M-H]- 206.155034 154.0
[M+NH4]+ 225.196133 171.2
[M+K]+ 246.125468 153.1
[M+H-H2O]+ 190.159570 143.0
[M+HCOO]- 252.160511 170.0
[M+CH3COO]- 266.176161 194.8
[M+Na-2H]- 228.136976 150.0
[M]+ 207.16176142 147.5
[M]- 207.16285858 147.5
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.