CID 103025

2-benzylaziridine

Structural Information

Molecular Formula
C9H11N
SMILES
C1C(N1)CC2=CC=CC=C2
InChI
InChI=1S/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2
InChIKey
LKQAJXTWYDNYHK-UHFFFAOYSA-N
Compound name
2-benzylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

133.08914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 127.6
[M+Na]+ 156.078358 136.6
[M-H]- 132.081864 132.4
[M+NH4]+ 151.122963 142.6
[M+K]+ 172.052298 133.0
[M+H-H2O]+ 116.086400 120.6
[M+HCOO]- 178.087341 150.2
[M+CH3COO]- 192.102991 140.7
[M+Na-2H]- 154.063806 135.9
[M]+ 133.08859142 127.2
[M]- 133.08968858 127.2
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