CID 13147052

2-((propylamino)methyl)hexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C13H23NO
SMILES
CCCNCC1CC2CCCCC2C1=O
InChI
InChI=1S/C13H23NO/c1-2-7-14-9-11-8-10-5-3-4-6-12(10)13(11)15/h10-12,14H,2-9H2,1H3
InChIKey
CHDBLULYTTWBFI-UHFFFAOYSA-N
Compound name
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

209.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 150.7
[M+Na]+ 232.16718 154.8
[M-H]- 208.17068 153.7
[M+NH4]+ 227.21178 172.1
[M+K]+ 248.14112 151.8
[M+H-H2O]+ 192.17522 144.8
[M+HCOO]- 254.17616 170.0
[M+CH3COO]- 268.19181 190.5
[M+Na-2H]- 230.15263 152.4
[M]+ 209.17741 146.4
[M]- 209.17851 146.4
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.