CID 29082156

7606-37-3

Structural Information

Molecular Formula
C13H13N
SMILES
C1C(CN1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H13N/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-14-9-11/h1-7,11,14H,8-9H2
InChIKey
WKNNXJJYQUMULW-UHFFFAOYSA-N
Compound name
3-naphthalen-1-ylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.112076 135.0
[M+Na]+ 206.094018 141.7
[M-H]- 182.097524 139.5
[M+NH4]+ 201.138623 147.6
[M+K]+ 222.067958 140.1
[M+H-H2O]+ 166.102060 122.9
[M+HCOO]- 228.103001 153.9
[M+CH3COO]- 242.118651 147.2
[M+Na-2H]- 204.079466 143.2
[M]+ 183.10425142 140.1
[M]- 183.10534858 140.1
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.