CID 10176840

79944-37-9

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC1(OC[C@@H]([C@H](CO1)O)N)C
InChI
InChI=1S/C7H15NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m0/s1
InChIKey
BXRMFUZPBYHYSM-WDSKDSINSA-N
Compound name
(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

161.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 129.0
[M+Na]+ 184.09442 133.4
[M-H]- 160.09792 133.2
[M+NH4]+ 179.13902 146.7
[M+K]+ 200.06836 139.1
[M+H-H2O]+ 144.10246 124.4
[M+HCOO]- 206.10340 146.7
[M+CH3COO]- 220.11905 178.3
[M+Na-2H]- 182.07987 135.5
[M]+ 161.10465 123.7
[M]- 161.10575 123.7
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

patents stripe