CID 37283

Brn 1291755

Structural Information

Molecular Formula
C12H14BrNO4
SMILES
CC1(OCC(O1)COC(=O)N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H14BrNO4/c1-12(8-2-4-9(13)5-3-8)17-7-10(18-12)6-16-11(14)15/h2-5,10H,6-7H2,1H3,(H2,14,15)
InChIKey
QSUUSSJYBHNMHY-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.01062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01790 164.4
[M+Na]+ 337.99984 174.3
[M-H]- 314.00334 174.2
[M+NH4]+ 333.04444 183.0
[M+K]+ 353.97378 166.3
[M+H-H2O]+ 298.00788 164.3
[M+HCOO]- 360.00882 183.3
[M+CH3COO]- 374.02447 200.0
[M+Na-2H]- 335.98529 169.5
[M]+ 315.01007 184.2
[M]- 315.01117 184.2
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.