CID 132388272

2172184-17-5

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CC(C)(C)OC(=O)C1=CC2=C(N=CN=C2N1)N
InChI
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)7-4-6-8(12)13-5-14-9(6)15-7/h4-5H,1-3H3,(H3,12,13,14,15)
InChIKey
IODHEPNYPFJCGI-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 151.2
[M+Na]+ 257.10090 161.9
[M+NH4]+ 252.14550 156.9
[M+K]+ 273.07484 160.3
[M-H]- 233.10440 150.0
[M+Na-2H]- 255.08635 155.3
[M]+ 234.11113 152.1
[M]- 234.11223 152.1
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.