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]+ 208.16959 148.6
[M+Na]+ 230.15153 154.9
[M-H]- 206.15503 154.0
[M+NH4]+ 225.19613 171.2
[M+K]+ 246.12547 153.1
[M+H-H2O]+ 190.15957 143.0
[M+HCOO]- 252.16051 170.0
[M+CH3COO]- 266.17616 194.8
[M+Na-2H]- 228.13698 150.0
[M]+ 207.16176 147.5
[M]- 207.16286 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.