CID 10910771

5h-pyrrolo[3,4-d]pyrimidin-2-amine, 6,7-dihydro-, hydrochloride (1:2)

Structural Information

Molecular Formula
C6H8N4
SMILES
C1C2=CN=C(N=C2CN1)N
InChI
InChI=1S/C6H8N4/c7-6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2,(H2,7,9,10)
InChIKey
BNKWCEZPRJODQK-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

136.07489 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08217 125.7
[M+Na]+ 159.06411 134.6
[M-H]- 135.06761 124.7
[M+NH4]+ 154.10871 145.2
[M+K]+ 175.03805 131.4
[M+H-H2O]+ 119.07215 118.3
[M+HCOO]- 181.07309 145.6
[M+CH3COO]- 195.08874 138.5
[M+Na-2H]- 157.04956 133.3
[M]+ 136.07434 121.2
[M]- 136.07544 121.2
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

patents stripe