CID 170912230

Tert-butyl n-(1-(5-aminopyrimidin-2-yl)ethyl)carbamate

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C1=NC=C(C=N1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N4O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,12H2,1-4H3,(H,15,16)
InChIKey
RWFRGFYCRRWNHS-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 156.7
[M+Na]+ 261.13219 162.9
[M-H]- 237.13569 157.5
[M+NH4]+ 256.17679 171.2
[M+K]+ 277.10613 161.7
[M+H-H2O]+ 221.14023 149.0
[M+HCOO]- 283.14117 176.6
[M+CH3COO]- 297.15682 196.5
[M+Na-2H]- 259.11764 161.3
[M]+ 238.14242 156.4
[M]- 238.14352 156.4
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.