CID 254913

N-(1-naphthyl)-1-aziridinecarboxamide

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1CN1C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H12N2O/c16-13(15-8-9-15)14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,14,16)
InChIKey
FSJAKBJXFPNYGO-UHFFFAOYSA-N
Compound name
N-naphthalen-1-ylaziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

212.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 147.1
[M+Na]+ 235.08418 156.3
[M-H]- 211.08768 154.0
[M+NH4]+ 230.12878 160.3
[M+K]+ 251.05812 151.8
[M+H-H2O]+ 195.09222 139.3
[M+HCOO]- 257.09316 170.0
[M+CH3COO]- 271.10881 159.4
[M+Na-2H]- 233.06963 155.1
[M]+ 212.09441 148.3
[M]- 212.09551 148.3
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