CID 115377

Win 5580

Structural Information

Molecular Formula
C9H19NO2
SMILES
CNCC(C1CCC(CC1)O)O
InChI
InChI=1S/C9H19NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h7-12H,2-6H2,1H3
InChIKey
CJDSBANVLCMXGR-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(methylamino)ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 140.9
[M+Na]+ 196.130808 144.0
[M-H]- 172.134314 140.7
[M+NH4]+ 191.175413 159.3
[M+K]+ 212.104748 142.4
[M+H-H2O]+ 156.138850 135.4
[M+HCOO]- 218.139791 158.4
[M+CH3COO]- 232.155441 178.2
[M+Na-2H]- 194.116256 143.3
[M]+ 173.14104142 134.5
[M]- 173.14213858 134.5
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.