CID 56543

93101-38-3

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CCC(=CC1)CCOC(=O)C(C2CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H25NO3/c1-20-12-9-15(10-13-20)11-14-23-18(21)19(22,17-7-8-17)16-5-3-2-4-6-16/h2-6,9,17,22H,7-8,10-14H2,1H3
InChIKey
YMGCPBDDLMWGDO-UHFFFAOYSA-N
Compound name
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 178.7
[M+Na]+ 338.17266 191.1
[M+NH4]+ 333.21726 186.1
[M+K]+ 354.14660 186.3
[M-H]- 314.17616 188.7
[M+Na-2H]- 336.15811 187.7
[M]+ 315.18289 184.4
[M]- 315.18399 184.4
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.