CID 13375420

(1r,2r,3s)-2-aminocyclohexane-1,3-diol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1C[C@H](C([C@H](C1)O)N)O
InChI
InChI=1S/C6H13NO2/c7-6-4(8)2-1-3-5(6)9/h4-6,8-9H,1-3,7H2/t4-,5+,6?
InChIKey
MNLZNJPXUJURMD-XEAPYIEGSA-N
Compound name
(1R,3S)-2-aminocyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

131.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.2
[M+Na]+ 154.08386 132.9
[M-H]- 130.08736 127.5
[M+NH4]+ 149.12846 147.5
[M+K]+ 170.05780 131.2
[M+H-H2O]+ 114.09190 122.5
[M+HCOO]- 176.09284 146.1
[M+CH3COO]- 190.10849 168.8
[M+Na-2H]- 152.06931 130.8
[M]+ 131.09409 119.8
[M]- 131.09519 119.8
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