CID 22866749

Schembl5321574

Structural Information

Molecular Formula
C6H13NO2
SMILES
CN1CC[C@@H]([C@H](C1)O)O
InChI
InChI=1S/C6H13NO2/c1-7-3-2-5(8)6(9)4-7/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
PUPTWMANBKEJKI-WDSKDSINSA-N
Compound name
(3S,4S)-1-methylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.7
[M+Na]+ 154.08386 134.3
[M-H]- 130.08736 127.1
[M+NH4]+ 149.12846 147.3
[M+K]+ 170.05780 133.0
[M+H-H2O]+ 114.09190 122.5
[M+HCOO]- 176.09284 145.0
[M+CH3COO]- 190.10849 167.0
[M+Na-2H]- 152.06931 132.1
[M]+ 131.09409 122.6
[M]- 131.09519 122.6
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.