CID 112756513

2-amino-5,5-dimethylhexane-1,4-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.14159 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.14887 138.4
[M+Na]+ 184.13081 145.0
[M+NH4]+ 179.17541 144.5
[M+K]+ 200.10475 142.8
[M-H]- 160.13431 135.9
[M+Na-2H]- 182.11626 139.2
[M]+ 161.14104 138.2
[M]- 161.14214 138.2
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

No patent data available for this compound.