CID 45283397

2-benzylazetidine hydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
C1CNC1CC2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-10-6-7-11-10/h1-5,10-11H,6-8H2
InChIKey
QACCZSKNXCZIRW-UHFFFAOYSA-N
Compound name
2-benzylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

147.1048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.9
[M+Na]+ 170.09402 133.3
[M-H]- 146.09752 131.4
[M+NH4]+ 165.13862 140.7
[M+K]+ 186.06796 133.2
[M+H-H2O]+ 130.10206 116.3
[M+HCOO]- 192.10300 147.8
[M+CH3COO]- 206.11865 176.2
[M+Na-2H]- 168.07947 135.2
[M]+ 147.10425 132.7
[M]- 147.10535 132.7
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