CID 199314

Brn 1083170

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC1=CC=CC=C1C(=O)C2C(N(CCO2)OC(=O)C)C(C)C
InChI
InChI=1S/C17H23NO4/c1-11(2)15-17(21-10-9-18(15)22-13(4)19)16(20)14-8-6-5-7-12(14)3/h5-8,11,15,17H,9-10H2,1-4H3
InChIKey
OCQAUDURBBGOQV-UHFFFAOYSA-N
Compound name
[2-(2-methylbenzoyl)-3-propan-2-ylmorpholin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 171.8
[M+Na]+ 328.151938 176.6
[M-H]- 304.155444 177.2
[M+NH4]+ 323.196543 183.8
[M+K]+ 344.125878 176.1
[M+H-H2O]+ 288.159980 163.5
[M+HCOO]- 350.160921 186.9
[M+CH3COO]- 364.176571 207.0
[M+Na-2H]- 326.137386 170.7
[M]+ 305.16217142 172.5
[M]- 305.16326858 172.5
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.