CID 47516

65021-83-2

Structural Information

Molecular Formula
C15H27N
SMILES
CC1CCC2CN(CC2C1)C3CCCCC3
InChI
InChI=1S/C15H27N/c1-12-7-8-13-10-16(11-14(13)9-12)15-5-3-2-4-6-15/h12-15H,2-11H2,1H3
InChIKey
DWRIQLHPMRIGHK-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.21436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.221636 157.1
[M+Na]+ 244.203578 159.2
[M-H]- 220.207084 161.0
[M+NH4]+ 239.248183 176.4
[M+K]+ 260.177518 155.7
[M+H-H2O]+ 204.211620 149.2
[M+HCOO]- 266.212561 170.1
[M+CH3COO]- 280.228211 166.7
[M+Na-2H]- 242.189026 156.0
[M]+ 221.21381142 147.0
[M]- 221.21490858 147.0
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.