CID 212480

Beatrice

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1=CC(=C(C=C1OC)CC(C)NC)OC
InChI
InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3
InChIKey
IWYGVDBZCSCJGT-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxy-4-methylphenyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1480
Patents

223.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.1
[M+Na]+ 246.14645 159.4
[M-H]- 222.14995 156.1
[M+NH4]+ 241.19105 170.9
[M+K]+ 262.12039 158.1
[M+H-H2O]+ 206.15449 145.8
[M+HCOO]- 268.15543 175.8
[M+CH3COO]- 282.17108 196.7
[M+Na-2H]- 244.13190 155.1
[M]+ 223.15668 156.1
[M]- 223.15778 156.1
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.