CID 13269692

2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1CCC(=CC1)CC(=O)O
InChI
InChI=1S/C8H13NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h2H,3-6H2,1H3,(H,10,11)
InChIKey
NGHHDNPKLRASHU-UHFFFAOYSA-N
Compound name
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.4
[M+Na]+ 178.08386 144.1
[M+NH4]+ 173.12846 141.0
[M+K]+ 194.05780 139.1
[M-H]- 154.08736 133.7
[M+Na-2H]- 176.06931 137.9
[M]+ 155.09409 134.7
[M]- 155.09519 134.7
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

patents stripe