CID 10442408

(1-acetylpiperidin-4-yl)acetic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)N1CCC(CC1)CC(=O)O
InChI
InChI=1S/C9H15NO3/c1-7(11)10-4-2-8(3-5-10)6-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKey
SPNAWRHVQZEFHH-UHFFFAOYSA-N
Compound name
2-(1-acetylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

185.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.1
[M+Na]+ 208.09442 146.0
[M-H]- 184.09792 141.2
[M+NH4]+ 203.13902 158.6
[M+K]+ 224.06836 145.1
[M+H-H2O]+ 168.10246 135.0
[M+HCOO]- 230.10340 157.6
[M+CH3COO]- 244.11905 179.0
[M+Na-2H]- 206.07987 142.7
[M]+ 185.10465 137.3
[M]- 185.10575 137.3
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