CID 155802132

11-carboxyanatoxin-a

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1C[C@@H]2CC[C@@H](N2)C(=C1)C(=O)CC(=O)O
InChI
InChI=1S/C11H15NO3/c13-10(6-11(14)15)8-3-1-2-7-4-5-9(8)12-7/h3,7,9,12H,1-2,4-6H2,(H,14,15)/t7-,9-/m1/s1
InChIKey
JKKXAUZJANMQHE-VXNVDRBHSA-N
Compound name
3-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 143.9
[M+Na]+ 232.09442 147.7
[M-H]- 208.09792 143.8
[M+NH4]+ 227.13902 161.8
[M+K]+ 248.06836 148.4
[M+H-H2O]+ 192.10246 139.0
[M+HCOO]- 254.10340 158.2
[M+CH3COO]- 268.11905 183.6
[M+Na-2H]- 230.07987 145.8
[M]+ 209.10465 137.7
[M]- 209.10575 137.7
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.