CID 17807970

229001-15-4

Structural Information

Molecular Formula
C18H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C18H25NO5/c1-18(2,3)24-17(22)19-10-8-15(9-11-19)23-14-6-4-13(5-7-14)12-16(20)21/h4-7,15H,8-12H2,1-3H3,(H,20,21)
InChIKey
UDZZTSCDYWIVKD-UHFFFAOYSA-N
Compound name
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18056 179.2
[M+Na]+ 358.16250 182.5
[M-H]- 334.16600 182.1
[M+NH4]+ 353.20710 190.4
[M+K]+ 374.13644 180.9
[M+H-H2O]+ 318.17054 171.2
[M+HCOO]- 380.17148 192.9
[M+CH3COO]- 394.18713 206.5
[M+Na-2H]- 356.14795 179.4
[M]+ 335.17273 178.7
[M]- 335.17383 178.7
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