CID 165888803

Methyl 2-[3-(4-bromophenyl)azetidin-3-yl]acetate hydrochloride

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC(=O)CC1(CNC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H14BrNO2/c1-16-11(15)6-12(7-14-8-12)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKey
MOIXMVMTCZZGDO-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-bromophenyl)azetidin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 148.4
[M+Na]+ 306.01000 157.3
[M-H]- 282.01350 154.7
[M+NH4]+ 301.05460 161.8
[M+K]+ 321.98394 149.3
[M+H-H2O]+ 266.01804 143.8
[M+HCOO]- 328.01898 165.2
[M+CH3COO]- 342.03463 195.3
[M+Na-2H]- 303.99545 154.9
[M]+ 283.02023 173.8
[M]- 283.02133 173.8
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

No patent data available for this compound.