CID 12262509

Hecate, (r)-

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCC1=CC(=C(C=C1OC)C[C@@H](C)N)OC
InChI
InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3/t9-/m1/s1
InChIKey
HXJKWPGVENNMCC-SECBINFHSA-N
Compound name
(2R)-1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
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 152.8
[M+Na]+ 246.14645 160.1
[M-H]- 222.14995 156.2
[M+NH4]+ 241.19105 171.3
[M+K]+ 262.12039 158.4
[M+H-H2O]+ 206.15449 146.5
[M+HCOO]- 268.15543 175.8
[M+CH3COO]- 282.17108 196.0
[M+Na-2H]- 244.13190 154.7
[M]+ 223.15668 155.8
[M]- 223.15778 155.8
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