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 135.1
[M+Na]+ 196.10967 141.3
[M-H]- 172.11317 140.0
[M+NH4]+ 191.15427 147.8
[M+K]+ 212.08361 141.0
[M+H-H2O]+ 156.11771 123.2
[M+HCOO]- 218.11865 156.0
[M+CH3COO]- 232.13430 184.9
[M+Na-2H]- 194.09512 141.1
[M]+ 173.11990 142.2
[M]- 173.12100 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.