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]+ 239.150246 156.7
[M+Na]+ 261.132188 162.9
[M-H]- 237.135694 157.5
[M+NH4]+ 256.176793 171.2
[M+K]+ 277.106128 161.7
[M+H-H2O]+ 221.140230 149.0
[M+HCOO]- 283.141171 176.6
[M+CH3COO]- 297.156821 196.5
[M+Na-2H]- 259.117636 161.3
[M]+ 238.14242142 156.4
[M]- 238.14351858 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.