CID 16780702

3-[(3-methylphenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=CC=C1)CC2CNC2
InChI
InChI=1S/C11H15N/c1-9-3-2-4-10(5-9)6-11-7-12-8-11/h2-5,11-12H,6-8H2,1H3
InChIKey
FUNFNYONSKLICV-UHFFFAOYSA-N
Compound name
3-[(3-methylphenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 133.0
[M+Na]+ 184.109668 138.9
[M-H]- 160.113174 136.7
[M+NH4]+ 179.154273 145.5
[M+K]+ 200.083608 138.5
[M+H-H2O]+ 144.117710 121.4
[M+HCOO]- 206.118651 152.6
[M+CH3COO]- 220.134301 180.2
[M+Na-2H]- 182.095116 138.9
[M]+ 161.11990142 138.6
[M]- 161.12099858 138.6
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.