CID 23632

Azetidine, 1-allyl-3-phenyl-

Structural Information

Molecular Formula
C12H15N
SMILES
C=CCN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N/c1-2-8-13-9-12(10-13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKey
KTKJARRHLQAJIY-UHFFFAOYSA-N
Compound name
3-phenyl-1-prop-2-enylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.2
[M+Na]+ 196.10967 145.3
[M+NH4]+ 191.15427 141.5
[M+K]+ 212.08361 139.5
[M-H]- 172.11317 137.2
[M+Na-2H]- 194.09512 142.2
[M]+ 173.11990 136.6
[M]- 173.12100 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.