CID 275933

2-phenylaziridine

Structural Information

Molecular Formula
C8H9N
SMILES
C1C(N1)C2=CC=CC=C2
InChI
InChI=1S/C8H9N/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8-9H,6H2
InChIKey
GBIKLFWSUVVUKT-UHFFFAOYSA-N
Compound name
2-phenylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

273
Patents

119.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 123.3
[M+Na]+ 142.06272 132.8
[M-H]- 118.06622 128.4
[M+NH4]+ 137.10732 138.9
[M+K]+ 158.03666 129.5
[M+H-H2O]+ 102.07076 116.6
[M+HCOO]- 164.07170 146.2
[M+CH3COO]- 178.08735 136.9
[M+Na-2H]- 140.04817 132.2
[M]+ 119.07295 122.6
[M]- 119.07405 122.6
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