CID 16227838

3-benzylazetidine hydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
C1C(CN1)CC2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)6-10-7-11-8-10/h1-5,10-11H,6-8H2
InChIKey
AKUVRZKNLXYTJX-UHFFFAOYSA-N
Compound name
3-benzylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5299
Patents

147.1048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 128.5
[M+Na]+ 170.09402 137.1
[M+NH4]+ 165.13862 134.0
[M+K]+ 186.06796 131.9
[M-H]- 146.09752 129.3
[M+Na-2H]- 168.07947 134.8
[M]+ 147.10425 128.8
[M]- 147.10535 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe