CID 28148615

Rac-(1r,2r)-2-(2-methoxyethoxy)cyclohexan-1-amine

Structural Information

Molecular Formula
C9H19NO2
SMILES
COCCO[C@@H]1CCCC[C@H]1N
InChI
InChI=1S/C9H19NO2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKey
JOZSAZCGWGBUCD-RKDXNWHRSA-N
Compound name
trans-(1R,2R)-2-(2-methoxyethoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 139.7
[M+Na]+ 196.130808 143.9
[M-H]- 172.134314 141.8
[M+NH4]+ 191.175413 159.4
[M+K]+ 212.104748 143.3
[M+H-H2O]+ 156.138850 133.6
[M+HCOO]- 218.139791 160.7
[M+CH3COO]- 232.155441 181.8
[M+Na-2H]- 194.116256 143.4
[M]+ 173.14104142 136.8
[M]- 173.14213858 136.8
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.