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 144.5
[M+Na]+ 216.13589 150.2
[M-H]- 192.13939 149.7
[M+NH4]+ 211.18049 167.3
[M+K]+ 232.10983 148.7
[M+H-H2O]+ 176.14393 138.7
[M+HCOO]- 238.14487 166.2
[M+CH3COO]- 252.16052 190.6
[M+Na-2H]- 214.12134 147.0
[M]+ 193.14612 142.6
[M]- 193.14722 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.