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]+ 344.049206 170.7
[M+Na]+ 366.031148 178.7
[M-H]- 342.034654 178.2
[M+NH4]+ 361.075753 185.1
[M+K]+ 382.005088 170.0
[M+H-H2O]+ 326.039190 168.6
[M+HCOO]- 388.040131 186.3
[M+CH3COO]- 402.055781 204.0
[M+Na-2H]- 364.016596 174.9
[M]+ 343.04138142 190.2
[M]- 343.04247858 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.