CID 155819979

3-[(4-bromo-2-methylphenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1=C(C=CC(=C1)Br)CC2CNC2
InChI
InChI=1S/C11H14BrN/c1-8-4-11(12)3-2-10(8)5-9-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKey
SFQAFPFQZOVGKG-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2-methylphenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 138.1
[M+Na]+ 262.02018 147.9
[M-H]- 238.02368 144.6
[M+NH4]+ 257.06478 152.0
[M+K]+ 277.99412 139.1
[M+H-H2O]+ 222.02822 133.2
[M+HCOO]- 284.02916 155.7
[M+CH3COO]- 298.04481 191.0
[M+Na-2H]- 260.00563 144.8
[M]+ 239.03041 161.8
[M]- 239.03151 161.8
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

patents stripe