CID 19361808

225240-67-5

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)N1CCC(CC1)(C)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-7(11)10-5-3-9(2,4-6-10)8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKey
MPKUPQDAEPKIHZ-UHFFFAOYSA-N
Compound name
1-acetyl-4-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

185.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.2
[M+Na]+ 208.09442 146.0
[M-H]- 184.09792 140.7
[M+NH4]+ 203.13902 159.8
[M+K]+ 224.06836 145.5
[M+H-H2O]+ 168.10246 135.2
[M+HCOO]- 230.10340 156.7
[M+CH3COO]- 244.11905 178.6
[M+Na-2H]- 206.07987 143.1
[M]+ 185.10465 136.8
[M]- 185.10575 136.8
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