CID 215787

1-(1-(3,4,5-trimethoxyphenyl)-2-propyl)aziridine

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(CC1=CC(=C(C(=C1)OC)OC)OC)N2CC2
InChI
InChI=1S/C14H21NO3/c1-10(15-5-6-15)7-11-8-12(16-2)14(18-4)13(9-11)17-3/h8-10H,5-7H2,1-4H3
InChIKey
ZSVSXKYSXIIVQN-UHFFFAOYSA-N
Compound name
1-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.1
[M+Na]+ 274.14137 169.5
[M-H]- 250.14487 166.4
[M+NH4]+ 269.18597 171.8
[M+K]+ 290.11531 166.8
[M+H-H2O]+ 234.14941 152.2
[M+HCOO]- 296.15035 181.8
[M+CH3COO]- 310.16600 200.4
[M+Na-2H]- 272.12682 162.6
[M]+ 251.15160 168.0
[M]- 251.15270 168.0
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

patents stripe