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 140.5
[M+Na]+ 184.13081 145.2
[M-H]- 160.13431 137.4
[M+NH4]+ 179.17541 159.5
[M+K]+ 200.10475 144.5
[M+H-H2O]+ 144.13885 136.2
[M+HCOO]- 206.13979 157.9
[M+CH3COO]- 220.15544 177.5
[M+Na-2H]- 182.11626 142.6
[M]+ 161.14104 137.8
[M]- 161.14214 137.8
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.