CID 155819851

Rac-(5r,6s)-2,2-dimethyl-6-(methylamino)-1,3-dioxepan-5-ol

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC1(OC[C@H]([C@@H](CO1)O)NC)C
InChI
InChI=1S/C8H17NO3/c1-8(2)11-4-6(9-3)7(10)5-12-8/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
OPKQYYADNYUORB-RNFRBKRXSA-N
Compound name
(5S,6R)-2,2-dimethyl-6-(methylamino)-1,3-dioxepan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 133.1
[M+Na]+ 198.110068 137.1
[M-H]- 174.113574 137.6
[M+NH4]+ 193.154673 150.5
[M+K]+ 214.084008 142.9
[M+H-H2O]+ 158.118110 128.3
[M+HCOO]- 220.119051 151.1
[M+CH3COO]- 234.134701 181.7
[M+Na-2H]- 196.095516 140.1
[M]+ 175.12030142 129.1
[M]- 175.12139858 129.1
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.