CID 103729

3-(cyclohexylamino)propane-1,2-diol

Structural Information

Molecular Formula
C9H19NO2
SMILES
C1CCC(CC1)NCC(CO)O
InChI
InChI=1S/C9H19NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h8-12H,1-7H2
InChIKey
YDVGXVAWWFKAKA-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

173.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.0
[M+Na]+ 196.130808 143.1
[M-H]- 172.134314 140.4
[M+NH4]+ 191.175413 159.0
[M+K]+ 212.104748 141.5
[M+H-H2O]+ 156.138850 135.2
[M+HCOO]- 218.139791 158.5
[M+CH3COO]- 232.155441 177.0
[M+Na-2H]- 194.116256 144.1
[M]+ 173.14104142 134.2
[M]- 173.14213858 134.2
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

patents stripe