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

11
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

literature stripe

Patent stripe

patents stripe