CID 300060

(5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC1(OCC(CO1)(CO)N)C
InChI
InChI=1S/C7H15NO3/c1-6(2)10-4-7(8,3-9)5-11-6/h9H,3-5,8H2,1-2H3
InChIKey
FZKNPLIAARFREX-UHFFFAOYSA-N
Compound name
(5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

74
Patents

161.1052 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 132.9
[M+Na]+ 184.09442 139.6
[M-H]- 160.09792 136.1
[M+NH4]+ 179.13902 153.9
[M+K]+ 200.06836 141.5
[M+H-H2O]+ 144.10246 129.2
[M+HCOO]- 206.10340 151.4
[M+CH3COO]- 220.11905 174.8
[M+Na-2H]- 182.07987 141.8
[M]+ 161.10465 131.0
[M]- 161.10575 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe