CID 52903749

224456-41-1

Structural Information

Molecular Formula
C10H17NO4
SMILES
CCOC(=O)C1CCN(CC1)CC(=O)O
InChI
InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKey
HRGCBRJWXRHEJU-UHFFFAOYSA-N
Compound name
2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

215.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 148.2
[M+Na]+ 238.10497 152.6
[M-H]- 214.10847 148.1
[M+NH4]+ 233.14957 164.4
[M+K]+ 254.07891 152.0
[M+H-H2O]+ 198.11301 141.7
[M+HCOO]- 260.11395 164.6
[M+CH3COO]- 274.12960 184.2
[M+Na-2H]- 236.09042 149.4
[M]+ 215.11520 146.3
[M]- 215.11630 146.3
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

No patent data available for this compound.