CID 13103191

88384-34-3

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CN(C)CCC(C1=CC=C(C=C1)Br)OC(=O)N
InChI
InChI=1S/C12H17BrN2O2/c1-15(2)8-7-11(17-12(14)16)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3,(H2,14,16)
InChIKey
MLTRMGWFJUDPMV-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)-3-(dimethylamino)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 158.9
[M+Na]+ 323.03655 159.2
[M+NH4]+ 318.08115 162.3
[M+K]+ 339.01049 160.6
[M-H]- 299.04005 159.4
[M+Na-2H]- 321.02200 160.8
[M]+ 300.04678 157.6
[M]- 300.04788 157.6
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.