CID 169763

N-(3,4,5-trimethoxyphenylethyl)aziridine

Structural Information

Molecular Formula
C13H19NO3
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CC2
InChI
InChI=1S/C13H19NO3/c1-15-11-8-10(4-5-14-6-7-14)9-12(16-2)13(11)17-3/h8-9H,4-7H2,1-3H3
InChIKey
MVMONJCRJMHFNE-UHFFFAOYSA-N
Compound name
1-[2-(3,4,5-trimethoxyphenyl)ethyl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

237.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 156.5
[M+Na]+ 260.12571 166.7
[M-H]- 236.12921 163.0
[M+NH4]+ 255.17031 168.9
[M+K]+ 276.09965 163.8
[M+H-H2O]+ 220.13375 148.7
[M+HCOO]- 282.13469 179.5
[M+CH3COO]- 296.15034 196.7
[M+Na-2H]- 258.11116 160.6
[M]+ 237.13594 164.7
[M]- 237.13704 164.7
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