CID 45357662

2-(5-methylpiperidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CC(CNC1)CC(=O)O
InChI
InChI=1S/C8H15NO2/c1-6-2-7(3-8(10)11)5-9-4-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKey
CZAGFABDQYANOX-UHFFFAOYSA-N
Compound name
2-(5-methylpiperidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.11028 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.0
[M+Na]+ 180.09950 140.8
[M-H]- 156.10300 134.7
[M+NH4]+ 175.14410 154.0
[M+K]+ 196.07344 138.8
[M+H-H2O]+ 140.10754 130.2
[M+HCOO]- 202.10848 151.8
[M+CH3COO]- 216.12413 172.0
[M+Na-2H]- 178.08495 138.7
[M]+ 157.10973 129.8
[M]- 157.11083 129.8
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