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]+ 174.14887 140.9
[M+Na]+ 196.13081 144.0
[M-H]- 172.13431 140.7
[M+NH4]+ 191.17541 159.3
[M+K]+ 212.10475 142.4
[M+H-H2O]+ 156.13885 135.4
[M+HCOO]- 218.13979 158.4
[M+CH3COO]- 232.15544 178.2
[M+Na-2H]- 194.11626 143.3
[M]+ 173.14104 134.5
[M]- 173.14214 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.