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 162.5
[M+Na]+ 323.03655 170.5
[M-H]- 299.04005 168.9
[M+NH4]+ 318.08115 180.8
[M+K]+ 339.01049 160.5
[M+H-H2O]+ 283.04459 160.0
[M+HCOO]- 345.04553 183.7
[M+CH3COO]- 359.06118 207.2
[M+Na-2H]- 321.02200 165.4
[M]+ 300.04678 181.5
[M]- 300.04788 181.5
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.