CID 57955231

Tert-butyl (4-bromo-2-cyano-1h-pyrrol-1-yl)carbamate

Structural Information

Molecular Formula
C10H12BrN3O2
SMILES
CC(C)(C)OC(=O)NN1C=C(C=C1C#N)Br
InChI
InChI=1S/C10H12BrN3O2/c1-10(2,3)16-9(15)13-14-6-7(11)4-8(14)5-12/h4,6H,1-3H3,(H,13,15)
InChIKey
SIUZUFSQLYFQRR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromo-2-cyanopyrrol-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

285.0113 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01858 159.2
[M+Na]+ 308.00052 159.9
[M+NH4]+ 303.04512 159.2
[M+K]+ 323.97446 159.7
[M-H]- 284.00402 151.4
[M+Na-2H]- 305.98597 157.7
[M]+ 285.01075 155.1
[M]- 285.01185 155.1
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