CID 168010400

Trans-carboxydihydroanatoxin-a

Structural Information

Molecular Formula
C11H17NO3
SMILES
C1C[C@@H]2CC[C@@H](N2)[C@H](C1)C(=O)CC(=O)O
InChI
InChI=1S/C11H17NO3/c13-10(6-11(14)15)8-3-1-2-7-4-5-9(8)12-7/h7-9,12H,1-6H2,(H,14,15)/t7-,8+,9-/m1/s1
InChIKey
XVDSSPXRAXBXPF-HRDYMLBCSA-N
Compound name
3-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 145.3
[M+Na]+ 234.110068 148.0
[M-H]- 210.113574 144.8
[M+NH4]+ 229.154673 163.0
[M+K]+ 250.084008 148.9
[M+H-H2O]+ 194.118110 140.3
[M+HCOO]- 256.119051 158.2
[M+CH3COO]- 270.134701 184.0
[M+Na-2H]- 232.095516 146.2
[M]+ 211.12030142 137.6
[M]- 211.12139858 137.6
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

No patent data available for this compound.