CID 24286

1-benzoylaziridine

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CN1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
HGBCPYMIZWPKMI-UHFFFAOYSA-N
Compound name
aziridin-1-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

170
Patents

147.06842 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 131.7
[M+Na]+ 170.05764 141.1
[M-H]- 146.06114 138.0
[M+NH4]+ 165.10224 146.7
[M+K]+ 186.03158 138.6
[M+H-H2O]+ 130.06568 124.4
[M+HCOO]- 192.06662 155.1
[M+CH3COO]- 206.08227 177.5
[M+Na-2H]- 168.04309 139.0
[M]+ 147.06787 133.1
[M]- 147.06897 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe