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]+ 156.10192 133.0
[M+Na]+ 178.08386 139.3
[M-H]- 154.08736 133.5
[M+NH4]+ 173.12846 152.0
[M+K]+ 194.05780 138.0
[M+H-H2O]+ 138.09190 127.0
[M+HCOO]- 200.09284 151.8
[M+CH3COO]- 214.10849 174.1
[M+Na-2H]- 176.06931 137.4
[M]+ 155.09409 130.2
[M]- 155.09519 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