CID 161850

Glabrin

Structural Information

Molecular Formula
C7H13NO4
SMILES
CN1CC(C(CC1C(=O)O)O)O
InChI
InChI=1S/C7H13NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h4-6,9-10H,2-3H2,1H3,(H,11,12)
InChIKey
VORPREYJNTUAGI-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-1-methylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

175.08446 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.091736 136.7
[M+Na]+ 198.073678 143.2
[M-H]- 174.077184 134.9
[M+NH4]+ 193.118283 153.8
[M+K]+ 214.047618 141.7
[M+H-H2O]+ 158.081720 131.5
[M+HCOO]- 220.082661 151.7
[M+CH3COO]- 234.098311 173.4
[M+Na-2H]- 196.059126 138.2
[M]+ 175.08391142 132.1
[M]- 175.08500858 132.1
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.