CID 165935017

2680783-30-4

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CC(C)(C)OC(=O)NCCC1=CC(=NC=C1)Br
InChI
InChI=1S/C12H17BrN2O2/c1-12(2,3)17-11(16)15-7-5-9-4-6-14-10(13)8-9/h4,6,8H,5,7H2,1-3H3,(H,15,16)
InChIKey
GDKKIMMQMASIPC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-bromopyridin-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 161.4
[M+Na]+ 323.03655 171.1
[M-H]- 299.04005 166.1
[M+NH4]+ 318.08115 179.0
[M+K]+ 339.01049 160.2
[M+H-H2O]+ 283.04459 159.9
[M+HCOO]- 345.04553 180.3
[M+CH3COO]- 359.06118 200.6
[M+Na-2H]- 321.02200 168.0
[M]+ 300.04678 181.6
[M]- 300.04788 181.6
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.