CID 177801899

(1s,2s,3s,5s)-5-amino-3-methoxycyclohexane-1,2-diol hydrochloride

Structural Information

Molecular Formula
C7H15NO3
SMILES
CO[C@H]1C[C@H](C[C@@H]([C@@H]1O)O)N
InChI
InChI=1S/C7H15NO3/c1-11-6-3-4(8)2-5(9)7(6)10/h4-7,9-10H,2-3,8H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKey
DQEVSGZVYIZEGD-AXMZGBSTSA-N
Compound name
(1S,2S,3S,5S)-5-amino-3-methoxycyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 134.2
[M+Na]+ 184.094418 140.3
[M-H]- 160.097924 134.6
[M+NH4]+ 179.139023 153.5
[M+K]+ 200.068358 138.9
[M+H-H2O]+ 144.102460 129.3
[M+HCOO]- 206.103401 153.0
[M+CH3COO]- 220.119051 175.3
[M+Na-2H]- 182.079866 136.6
[M]+ 161.10465142 129.0
[M]- 161.10574858 129.0
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.