CID 57345809

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

Structural Information

Molecular Formula
C10H14BrN3O2
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(C=N1)Br
InChI
InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChIKey
PJYCNAIIDIMDQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

287.02695 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03423 155.2
[M+Na]+ 310.01617 165.7
[M-H]- 286.01967 158.9
[M+NH4]+ 305.06077 172.0
[M+K]+ 325.99011 155.1
[M+H-H2O]+ 270.02421 153.5
[M+HCOO]- 332.02515 173.5
[M+CH3COO]- 346.04080 197.5
[M+Na-2H]- 308.00162 163.1
[M]+ 287.02640 175.3
[M]- 287.02750 175.3
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