CID 129318636

2-(2-(1-hydroxycyclopentyl)-2-phenylacetyl)oxy-n,n-dimethylethanamine oxide;hydrochloride

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]+ 308.18562 173.3
[M+Na]+ 330.16756 175.4
[M-H]- 306.17106 177.4
[M+NH4]+ 325.21216 189.8
[M+K]+ 346.14150 168.9
[M+H-H2O]+ 290.17560 171.9
[M+HCOO]- 352.17654 191.8
[M+CH3COO]- 366.19219 194.2
[M+Na-2H]- 328.15301 177.7
[M]+ 307.17779 169.8
[M]- 307.17889 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.