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

17
Patents

155.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 133.0
[M+Na]+ 178.083858 139.3
[M-H]- 154.087364 133.5
[M+NH4]+ 173.128463 152.0
[M+K]+ 194.057798 138.0
[M+H-H2O]+ 138.091900 127.0
[M+HCOO]- 200.092841 151.8
[M+CH3COO]- 214.108491 174.1
[M+Na-2H]- 176.069306 137.4
[M]+ 155.09409142 130.2
[M]- 155.09518858 130.2
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