CID 568971

2-phenylazetidine

Structural Information

Molecular Formula
C9H11N
SMILES
C1CNC1C2=CC=CC=C2
InChI
InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
InChIKey
CLNGGMJEJSANIE-UHFFFAOYSA-N
Compound name
2-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

133.08914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 123.2
[M+Na]+ 156.078358 129.1
[M-H]- 132.081864 126.9
[M+NH4]+ 151.122963 136.6
[M+K]+ 172.052298 129.3
[M+H-H2O]+ 116.086400 111.8
[M+HCOO]- 178.087341 143.5
[M+CH3COO]- 192.102991 173.3
[M+Na-2H]- 154.063806 131.1
[M]+ 133.08859142 127.8
[M]- 133.08968858 127.8
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