CID 5281111

Homostachydrine

Structural Information

Molecular Formula
C8H16NO2
SMILES
C[N+]1(CCCC[C@H]1C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/p+1/t7-/m0/s1
InChIKey
XULZWQRXYTVUTE-ZETCQYMHSA-O
Compound name
(2S)-1,1-dimethylpiperidin-1-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

80
Patents

158.1181 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.12538 132.3
[M+Na]+ 181.10732 138.4
[M-H]- 157.11082 133.2
[M+NH4]+ 176.15192 153.1
[M+K]+ 197.08126 132.0
[M+H-H2O]+ 141.11536 130.3
[M+HCOO]- 203.11630 149.3
[M+CH3COO]- 217.13195 167.1
[M+Na-2H]- 179.09277 139.3
[M]+ 158.11755 126.7
[M]- 158.11865 126.7
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.