CID 11041585

(2s)-1,2,3,6,7,8-hexahydroazocine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C/C=C\C[C@H](NC1)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-3-1-2-4-6-9-7/h1,3,7,9H,2,4-6H2,(H,10,11)/b3-1-/t7-/m0/s1
InChIKey
YLVUMNXDKDMZAB-YYHMEYGGSA-N
Compound name
(5Z,8S)-1,2,3,4,7,8-hexahydroazocine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 138.0
[M+Na]+ 178.08386 141.2
[M+NH4]+ 173.12846 140.5
[M+K]+ 194.05780 141.3
[M-H]- 154.08736 138.1
[M+Na-2H]- 176.06931 141.1
[M]+ 155.09409 138.3
[M]- 155.09519 138.3
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.