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

73
Patents

161.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 129.0
[M+Na]+ 184.094418 133.4
[M-H]- 160.097924 133.2
[M+NH4]+ 179.139023 146.7
[M+K]+ 200.068358 139.1
[M+H-H2O]+ 144.102460 124.4
[M+HCOO]- 206.103401 146.7
[M+CH3COO]- 220.119051 178.3
[M+Na-2H]- 182.079866 135.5
[M]+ 161.10465142 123.7
[M]- 161.10574858 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