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]+ 212.12813 145.3
[M+Na]+ 234.11007 148.0
[M-H]- 210.11357 144.8
[M+NH4]+ 229.15467 163.0
[M+K]+ 250.08401 148.9
[M+H-H2O]+ 194.11811 140.3
[M+HCOO]- 256.11905 158.2
[M+CH3COO]- 270.13470 184.0
[M+Na-2H]- 232.09552 146.2
[M]+ 211.12030 137.6
[M]- 211.12140 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.