CID 129318636

Cyclopentolate n-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 171.8
[M+Na]+ 330.16756 180.8
[M+NH4]+ 325.21216 180.1
[M+K]+ 346.14150 178.1
[M-H]- 306.17106 174.6
[M+Na-2H]- 328.15301 177.8
[M]+ 307.17779 173.8
[M]- 307.17889 173.8
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.