CID 129318636

2724726-92-3

Structural Information

Molecular Formula
C17H25NO4
SMILES
C[N+](C)(CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O)[O-]
InChI
InChI=1S/C17H25NO4/c1-18(2,21)12-13-22-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
InChIKey
IMAIBTZOEYKDPG-UHFFFAOYSA-N
Compound name
2-[2-(1-hydroxycyclopentyl)-2-phenylacetyl]oxy-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 173.3
[M+Na]+ 330.167558 175.4
[M-H]- 306.171064 177.4
[M+NH4]+ 325.212163 189.8
[M+K]+ 346.141498 168.9
[M+H-H2O]+ 290.175600 171.9
[M+HCOO]- 352.176541 191.8
[M+CH3COO]- 366.192191 194.2
[M+Na-2H]- 328.153006 177.7
[M]+ 307.17779142 169.8
[M]- 307.17888858 169.8
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.