CID 3021239

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

Structural Information

Molecular Formula
C12H19NO
SMILES
CN(C)CC1CC2=C(C1=O)CCCC2
InChI
InChI=1S/C12H19NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h10H,3-8H2,1-2H3
InChIKey
PWSOQVBQYIAWET-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 144.5
[M+Na]+ 216.135888 150.2
[M-H]- 192.139394 149.7
[M+NH4]+ 211.180493 167.3
[M+K]+ 232.109828 148.7
[M+H-H2O]+ 176.143930 138.7
[M+HCOO]- 238.144871 166.2
[M+CH3COO]- 252.160521 190.6
[M+Na-2H]- 214.121336 147.0
[M]+ 193.14612142 142.6
[M]- 193.14721858 142.6
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.