CID 54329

Aziridine, 1-((1-naphthyloxy)acetyl)-

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1CN1C(=O)COC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H13NO2/c16-14(15-8-9-15)10-17-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2
InChIKey
QLNLKYTYJSQEIE-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-naphthalen-1-yloxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.101916 152.7
[M+Na]+ 250.083858 162.2
[M-H]- 226.087364 159.4
[M+NH4]+ 245.128463 165.5
[M+K]+ 266.057798 158.1
[M+H-H2O]+ 210.091900 144.6
[M+HCOO]- 272.092841 174.3
[M+CH3COO]- 286.108491 164.8
[M+Na-2H]- 248.069306 159.5
[M]+ 227.09409142 156.2
[M]- 227.09518858 156.2
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