CID 7534

Eucatropine hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O
InChI
InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
InChIKey
QSAVEGSLJISCDF-UHFFFAOYSA-N
Compound name
(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

2887
Patents

291.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 169.7
[M+Na]+ 314.17266 174.9
[M-H]- 290.17616 173.2
[M+NH4]+ 309.21726 185.2
[M+K]+ 330.14660 172.5
[M+H-H2O]+ 274.18070 162.5
[M+HCOO]- 336.18164 184.7
[M+CH3COO]- 350.19729 201.6
[M+Na-2H]- 312.15811 169.6
[M]+ 291.18289 168.1
[M]- 291.18399 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

literature stripe

Patent stripe

patents stripe