CID 13147064

3-methyl-2-(1-pyrrolidinylmethyl)hexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C15H25NO
SMILES
CC1C2CCCCC2C(=O)C1CN3CCCC3
InChI
InChI=1S/C15H25NO/c1-11-12-6-2-3-7-13(12)15(17)14(11)10-16-8-4-5-9-16/h11-14H,2-10H2,1H3
InChIKey
ZEALHEBKKKBDJC-UHFFFAOYSA-N
Compound name
3-methyl-2-(pyrrolidin-1-ylmethyl)-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

235.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 160.3
[M+Na]+ 258.18284 164.5
[M-H]- 234.18634 165.1
[M+NH4]+ 253.22744 181.1
[M+K]+ 274.15678 161.0
[M+H-H2O]+ 218.19088 153.5
[M+HCOO]- 280.19182 176.0
[M+CH3COO]- 294.20747 192.2
[M+Na-2H]- 256.16829 157.1
[M]+ 235.19307 153.7
[M]- 235.19417 153.7
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.