CID 121223064

1338219-50-3

Structural Information

Molecular Formula
C11H15BrN2O3
SMILES
CC(C)(C)OC(=O)NC1=C(N=C(C=C1)OC)Br
InChI
InChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(15)13-7-5-6-8(16-4)14-9(7)12/h5-6H,1-4H3,(H,13,15)
InChIKey
ALOXPFRSCMRUDW-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromo-6-methoxypyridin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.0266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03388 158.7
[M+Na]+ 325.01582 169.4
[M-H]- 301.01932 163.9
[M+NH4]+ 320.06042 176.4
[M+K]+ 340.98976 159.3
[M+H-H2O]+ 285.02386 157.3
[M+HCOO]- 347.02480 178.0
[M+CH3COO]- 361.04045 200.9
[M+Na-2H]- 323.00127 165.2
[M]+ 302.02605 180.2
[M]- 302.02715 180.2
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

patents stripe