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]+ 194.15395 144.6
[M+Na]+ 216.13589 154.4
[M+NH4]+ 211.18049 154.1
[M+K]+ 232.10983 149.7
[M-H]- 192.13939 147.5
[M+Na-2H]- 214.12134 148.4
[M]+ 193.14612 146.6
[M]- 193.14722 146.6
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.