CID 28901586

3-phenylazetidine hydrochloride

Structural Information

Molecular Formula
C9H11N
SMILES
C1C(CN1)C2=CC=CC=C2
InChI
InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKey
XOZGEXKQMVAILQ-UHFFFAOYSA-N
Compound name
3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

404
Patents

133.08914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 124.0
[M+Na]+ 156.07836 132.8
[M+NH4]+ 151.12296 129.7
[M+K]+ 172.05230 127.8
[M-H]- 132.08186 124.8
[M+Na-2H]- 154.06381 130.5
[M]+ 133.08859 124.3
[M]- 133.08969 124.3
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