CID 452015

113000-77-4

Structural Information

Molecular Formula
C6H11NO5
SMILES
C1[C@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O
InChI
InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4-,5-/m1/s1
InChIKey
ZHFMVVUVCALAMY-KKQCNMDGSA-N
Compound name
(2S,3R,4R,5R)-3,4,5-trihydroxypiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

177.06372 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07100 136.5
[M+Na]+ 200.05294 142.4
[M-H]- 176.05644 132.0
[M+NH4]+ 195.09754 151.8
[M+K]+ 216.02688 140.0
[M+H-H2O]+ 160.06098 131.6
[M+HCOO]- 222.06192 148.9
[M+CH3COO]- 236.07757 168.2
[M+Na-2H]- 198.03839 137.5
[M]+ 177.06317 129.3
[M]- 177.06427 129.3
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