CID 3075545

185759-07-3

Structural Information

Molecular Formula
C14H18BrNO4
SMILES
COC(=O)OCCN1CCOC(C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO4/c1-18-14(17)20-9-7-16-6-8-19-13(10-16)11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKey
LZJOGXVEDOZZGM-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)morpholin-4-yl]ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04193 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04921 170.7
[M+Na]+ 366.03115 178.7
[M-H]- 342.03465 178.2
[M+NH4]+ 361.07575 185.1
[M+K]+ 382.00509 170.0
[M+H-H2O]+ 326.03919 168.6
[M+HCOO]- 388.04013 186.3
[M+CH3COO]- 402.05578 204.0
[M+Na-2H]- 364.01660 174.9
[M]+ 343.04138 190.2
[M]- 343.04248 190.2
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.