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 157.1
[M+Na]+ 244.20358 159.2
[M-H]- 220.20708 161.0
[M+NH4]+ 239.24818 176.4
[M+K]+ 260.17752 155.7
[M+H-H2O]+ 204.21162 149.2
[M+HCOO]- 266.21256 170.1
[M+CH3COO]- 280.22821 166.7
[M+Na-2H]- 242.18903 156.0
[M]+ 221.21381 147.0
[M]- 221.21491 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.