CID 135397344

4-methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C10H17NO4
SMILES
COC(=O)CC(C(=O)O)N1CCCCC1
InChI
InChI=1S/C10H17NO4/c1-15-9(12)7-8(10(13)14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,13,14)
InChIKey
OKDRCPVZRUMGNI-UHFFFAOYSA-N
Compound name
4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 148.7
[M+Na]+ 238.104968 151.9
[M-H]- 214.108474 148.3
[M+NH4]+ 233.149573 164.5
[M+K]+ 254.078908 151.8
[M+H-H2O]+ 198.113010 142.0
[M+HCOO]- 260.113951 164.1
[M+CH3COO]- 274.129601 183.9
[M+Na-2H]- 236.090416 149.4
[M]+ 215.11520142 145.8
[M]- 215.11629858 145.8
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

No patent data available for this compound.