CID 44324

Aziridine, 1-(2-naphthoyl)-

Structural Information

Molecular Formula
C13H11NO
SMILES
C1CN1C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C13H11NO/c15-13(14-7-8-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKey
BRQKCXRFVLZIPZ-UHFFFAOYSA-N
Compound name
aziridin-1-yl(naphthalen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

197.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 144.4
[M+Na]+ 220.07328 154.5
[M-H]- 196.07678 151.4
[M+NH4]+ 215.11788 158.6
[M+K]+ 236.04722 150.2
[M+H-H2O]+ 180.08132 136.7
[M+HCOO]- 242.08226 166.3
[M+CH3COO]- 256.09791 157.2
[M+Na-2H]- 218.05873 151.9
[M]+ 197.08351 146.3
[M]- 197.08461 146.3
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