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]+ 174.127726 135.1
[M+Na]+ 196.109668 141.3
[M-H]- 172.113174 140.0
[M+NH4]+ 191.154273 147.8
[M+K]+ 212.083608 141.0
[M+H-H2O]+ 156.117710 123.2
[M+HCOO]- 218.118651 156.0
[M+CH3COO]- 232.134301 184.9
[M+Na-2H]- 194.095116 141.1
[M]+ 173.11990142 142.2
[M]- 173.12099858 142.2
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.