CID 176472518

6-amino-2-methylheptane-2,3-diol

Structural Information

Molecular Formula
C8H19NO2
SMILES
CC(CCC(C(C)(C)O)O)N
InChI
InChI=1S/C8H19NO2/c1-6(9)4-5-7(10)8(2,3)11/h6-7,10-11H,4-5,9H2,1-3H3
InChIKey
INVDSIHZJAJBBV-UHFFFAOYSA-N
Compound name
6-amino-2-methylheptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.14159 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.148866 140.2
[M+Na]+ 184.130808 144.9
[M-H]- 160.134314 137.1
[M+NH4]+ 179.175413 159.2
[M+K]+ 200.104748 144.2
[M+H-H2O]+ 144.138850 136.0
[M+HCOO]- 206.139791 157.6
[M+CH3COO]- 220.155441 178.2
[M+Na-2H]- 182.116256 142.3
[M]+ 161.14104142 137.6
[M]- 161.14213858 137.6
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.