CID 3019783

84254-91-1

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCC(C(=O)C1=CC(=C(C=C1)OC)OC)NC(C)C
InChI
InChI=1S/C15H23NO3/c1-6-12(16-10(2)3)15(17)11-7-8-13(18-4)14(9-11)19-5/h7-10,12,16H,6H2,1-5H3
InChIKey
GFERGFJYQBZYHH-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.8
[M+Na]+ 288.15702 169.0
[M-H]- 264.16052 167.2
[M+NH4]+ 283.20162 180.2
[M+K]+ 304.13096 168.2
[M+H-H2O]+ 248.16506 156.9
[M+HCOO]- 310.16600 185.2
[M+CH3COO]- 324.18165 204.5
[M+Na-2H]- 286.14247 164.0
[M]+ 265.16725 167.7
[M]- 265.16835 167.7
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.