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

19
Patents

185.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.2
[M+Na]+ 208.094418 146.0
[M-H]- 184.097924 140.7
[M+NH4]+ 203.139023 159.8
[M+K]+ 224.068358 145.5
[M+H-H2O]+ 168.102460 135.2
[M+HCOO]- 230.103401 156.7
[M+CH3COO]- 244.119051 178.6
[M+Na-2H]- 206.079866 143.1
[M]+ 185.10465142 136.8
[M]- 185.10574858 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