CID 11000556

175695-32-6

Structural Information

Molecular Formula
C11H14ClN5O2
SMILES
CC(C)(C)OC(=O)CN1C=NC2=C1N=C(N=C2Cl)N
InChI
InChI=1S/C11H14ClN5O2/c1-11(2,3)19-6(18)4-17-5-14-7-8(12)15-10(13)16-9(7)17/h5H,4H2,1-3H3,(H2,13,15,16)
InChIKey
ZRKRPDZEHCMYSH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-amino-6-chloropurin-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0836 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09088 164.5
[M+Na]+ 306.07282 176.2
[M-H]- 282.07632 164.6
[M+NH4]+ 301.11742 178.9
[M+K]+ 322.04676 171.9
[M+H-H2O]+ 266.08086 156.7
[M+HCOO]- 328.08180 178.8
[M+CH3COO]- 342.09745 200.2
[M+Na-2H]- 304.05827 169.5
[M]+ 283.08305 170.2
[M]- 283.08415 170.2
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.