CID 6484196

2-(1-methylpiperidin-4-ylidene)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1CCC(=CC(=O)O)CC1
InChI
InChI=1S/C8H13NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKey
FSANUZUEUHEXEH-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

155.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.9
[M+Na]+ 178.08386 139.5
[M-H]- 154.08736 134.1
[M+NH4]+ 173.12846 152.7
[M+K]+ 194.05780 137.8
[M+H-H2O]+ 138.09190 128.0
[M+HCOO]- 200.09284 151.4
[M+CH3COO]- 214.10849 173.0
[M+Na-2H]- 176.06931 137.2
[M]+ 155.09409 128.9
[M]- 155.09519 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe