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]+ 224.20090 155.0
[M+Na]+ 246.18284 159.7
[M-H]- 222.18634 158.3
[M+NH4]+ 241.22744 176.2
[M+K]+ 262.15678 156.5
[M+H-H2O]+ 206.19088 149.4
[M+HCOO]- 268.19182 174.0
[M+CH3COO]- 282.20747 194.7
[M+Na-2H]- 244.16829 155.6
[M]+ 223.19307 151.5
[M]- 223.19417 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.