CID 121185

Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C(=O)N2CCOCC2
InChI
InChI=1S/C15H21NO3/c1-10(2)12-5-4-11(3)13(14(12)17)15(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
InChIKey
JDUPQWLLFAOPMO-UHFFFAOYSA-N
Compound name
(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.4
[M+Na]+ 286.14135 167.7
[M-H]- 262.14485 166.7
[M+NH4]+ 281.18595 175.7
[M+K]+ 302.11529 166.3
[M+H-H2O]+ 246.14939 154.7
[M+HCOO]- 308.15033 177.3
[M+CH3COO]- 322.16598 196.2
[M+Na-2H]- 284.12680 162.9
[M]+ 263.15158 160.4
[M]- 263.15268 160.4
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.