CID 13147062

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

Structural Information

Molecular Formula
C14H25NO
SMILES
CCCNCC1C(C2CCCCC2C1=O)C
InChI
InChI=1S/C14H25NO/c1-3-8-15-9-13-10(2)11-6-4-5-7-12(11)14(13)16/h10-13,15H,3-9H2,1-2H3
InChIKey
AILRJSPLSYHPCF-UHFFFAOYSA-N
Compound name
3-methyl-2-(propylaminomethyl)-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

223.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 155.0
[M+Na]+ 246.182838 159.7
[M-H]- 222.186344 158.3
[M+NH4]+ 241.227443 176.2
[M+K]+ 262.156778 156.5
[M+H-H2O]+ 206.190880 149.4
[M+HCOO]- 268.191821 174.0
[M+CH3COO]- 282.207471 194.7
[M+Na-2H]- 244.168286 155.6
[M]+ 223.19307142 151.5
[M]- 223.19416858 151.5
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.