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]+ 184.11208 135.0
[M+Na]+ 206.09402 141.7
[M-H]- 182.09752 139.5
[M+NH4]+ 201.13862 147.6
[M+K]+ 222.06796 140.1
[M+H-H2O]+ 166.10206 122.9
[M+HCOO]- 228.10300 153.9
[M+CH3COO]- 242.11865 147.2
[M+Na-2H]- 204.07947 143.2
[M]+ 183.10425 140.1
[M]- 183.10535 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.