CID 67508268

Tert-butyl n-[1-(5-bromopyrimidin-2-yl)cyclopropyl]carbamate

Structural Information

Molecular Formula
C12H16BrN3O2
SMILES
CC(C)(C)OC(=O)NC1(CC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C12H16BrN3O2/c1-11(2,3)18-10(17)16-12(4-5-12)9-14-6-8(13)7-15-9/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKey
GNXMOPWLBKTBTB-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(5-bromopyrimidin-2-yl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

313.0426 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.04988 166.5
[M+Na]+ 336.03182 178.7
[M-H]- 312.03532 174.0
[M+NH4]+ 331.07642 179.8
[M+K]+ 352.00576 167.5
[M+H-H2O]+ 296.03986 165.5
[M+HCOO]- 358.04080 184.7
[M+CH3COO]- 372.05645 203.7
[M+Na-2H]- 334.01727 174.4
[M]+ 313.04205 188.1
[M]- 313.04315 188.1
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

No patent data available for this compound.