CID 24301

7652-64-4

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1CN1C(=O)C2=CC(=CC=C2)C(=O)N3CC3C
InChI
InChI=1S/C14H16N2O2/c1-9-7-15(9)13(17)11-4-3-5-12(6-11)14(18)16-8-10(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKey
PQJYXFVJBSRUPG-UHFFFAOYSA-N
Compound name
[3-(2-methylaziridine-1-carbonyl)phenyl]-(2-methylaziridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1175
Patents

244.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 138.9
[M+Na]+ 267.11041 152.4
[M+NH4]+ 262.15501 146.3
[M+K]+ 283.08435 151.3
[M-H]- 243.11391 153.3
[M+Na-2H]- 265.09586 150.3
[M]+ 244.12064 146.7
[M]- 244.12174 146.7
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