CID 132343940

2137432-69-8

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CC(C[C@@H]([C@@H]1O)O)N
InChI
InChI=1S/C6H13NO2/c7-4-1-2-5(8)6(9)3-4/h4-6,8-9H,1-3,7H2/t4?,5-,6+/m1/s1
InChIKey
FBMMXBRAIWKXFK-UVCATTPVSA-N
Compound name
(1R,2S)-4-aminocyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe