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

literature stripe

Patent stripe

patents stripe