CID 63129629

1231158-30-7

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCOC)C(=O)O
InChI
InChI=1S/C14H25NO5/c1-13(2,3)20-12(18)15-8-5-14(6-9-15,11(16)17)7-10-19-4/h5-10H2,1-4H3,(H,16,17)
InChIKey
MNZDYFMMBHCLPD-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

287.17328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 167.2
[M+Na]+ 310.16250 171.3
[M-H]- 286.16600 167.1
[M+NH4]+ 305.20710 182.8
[M+K]+ 326.13644 171.3
[M+H-H2O]+ 270.17054 161.9
[M+HCOO]- 332.17148 181.0
[M+CH3COO]- 346.18713 196.9
[M+Na-2H]- 308.14795 169.1
[M]+ 287.17273 168.1
[M]- 287.17383 168.1
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