CID 47516

2-cyclohexyl-5-methylhexahydroisoindoline

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]+ 222.22164 157.3
[M+Na]+ 244.20358 167.1
[M+NH4]+ 239.24818 167.6
[M+K]+ 260.17752 160.8
[M-H]- 220.20708 161.5
[M+Na-2H]- 242.18903 160.9
[M]+ 221.21381 159.7
[M]- 221.21491 159.7
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.