CID 47398

Brn 1494993

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC(=C)[C@](C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O
InChI
InChI=1S/C19H25NO3/c1-13(2)19(22,14-7-5-4-6-8-14)18(21)23-17-12-10-15-9-11-16(17)20(15)3/h4-8,15-17,22H,1,9-12H2,2-3H3/t15?,16?,17?,19-/m0/s1
InChIKey
LPCWAGHWJNRXDB-QMUDONBSSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (2S)-2-hydroxy-3-methyl-2-phenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 177.6
[M+Na]+ 338.17266 181.0
[M-H]- 314.17616 179.8
[M+NH4]+ 333.21726 193.0
[M+K]+ 354.14660 177.3
[M+H-H2O]+ 298.18070 170.9
[M+HCOO]- 360.18164 189.3
[M+CH3COO]- 374.19729 205.5
[M+Na-2H]- 336.15811 177.4
[M]+ 315.18289 174.7
[M]- 315.18399 174.7
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.