CID 44350080

207740-22-5

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCC1=CC(=C(C=C1OC)CCN)OC
InChI
InChI=1S/C13H21NO2/c1-4-5-10-8-13(16-3)11(6-7-14)9-12(10)15-2/h8-9H,4-7,14H2,1-3H3
InChIKey
PZJOKFZGPTVNBF-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-propylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

228
Patents

223.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.3
[M+Na]+ 246.14645 159.9
[M-H]- 222.14995 155.7
[M+NH4]+ 241.19105 171.0
[M+K]+ 262.12039 157.7
[M+H-H2O]+ 206.15449 146.0
[M+HCOO]- 268.15543 176.4
[M+CH3COO]- 282.17108 195.1
[M+Na-2H]- 244.13190 155.5
[M]+ 223.15668 156.0
[M]- 223.15778 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe