CID 50632

69766-14-9

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(CN(C)C)(C1=C(C=CC(=C1)OC)OC)O
InChI
InChI=1S/C13H21NO3/c1-13(15,9-14(2)3)11-8-10(16-4)6-7-12(11)17-5/h6-8,15H,9H2,1-5H3
InChIKey
NDKCLAODTZQRKW-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-1-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.2
[M+Na]+ 262.14137 161.9
[M-H]- 238.14487 159.1
[M+NH4]+ 257.18597 173.1
[M+K]+ 278.11531 161.6
[M+H-H2O]+ 222.14941 149.1
[M+HCOO]- 284.15035 177.6
[M+CH3COO]- 298.16600 197.9
[M+Na-2H]- 260.12682 159.8
[M]+ 239.15160 159.8
[M]- 239.15270 159.8
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.