CID 13147060

2-((dimethylamino)methyl)-3-methylhexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C13H23NO
SMILES
CC1C2CCCCC2C(=O)C1CN(C)C
InChI
InChI=1S/C13H23NO/c1-9-10-6-4-5-7-11(10)13(15)12(9)8-14(2)3/h9-12H,4-8H2,1-3H3
InChIKey
DLGGFHKJRFJUNJ-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 150.4
[M+Na]+ 232.16718 155.6
[M-H]- 208.17068 155.4
[M+NH4]+ 227.21178 172.9
[M+K]+ 248.14112 154.1
[M+H-H2O]+ 192.17522 144.9
[M+HCOO]- 254.17616 170.3
[M+CH3COO]- 268.19181 195.2
[M+Na-2H]- 230.15263 150.8
[M]+ 209.17741 147.8
[M]- 209.17851 147.8
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.