CID 20719673

1955515-62-4

Structural Information

Molecular Formula
C8H15NO3
SMILES
CN1CCC(CC1)OCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-9-4-2-7(3-5-9)12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
BTWUCJHAVODJLC-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.1052 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 137.8
[M+Na]+ 196.094418 142.9
[M-H]- 172.097924 137.9
[M+NH4]+ 191.139023 155.8
[M+K]+ 212.068358 142.4
[M+H-H2O]+ 156.102460 131.6
[M+HCOO]- 218.103401 155.4
[M+CH3COO]- 232.119051 176.6
[M+Na-2H]- 194.079866 141.1
[M]+ 173.10465142 135.1
[M]- 173.10574858 135.1
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