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

2
Patents

227.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 152.7
[M+Na]+ 250.08386 162.2
[M-H]- 226.08736 159.4
[M+NH4]+ 245.12846 165.5
[M+K]+ 266.05780 158.1
[M+H-H2O]+ 210.09190 144.6
[M+HCOO]- 272.09284 174.3
[M+CH3COO]- 286.10849 164.8
[M+Na-2H]- 248.06931 159.5
[M]+ 227.09409 156.2
[M]- 227.09519 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