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

31
Patents

136.07489 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.082166 125.7
[M+Na]+ 159.064108 134.6
[M-H]- 135.067614 124.7
[M+NH4]+ 154.108713 145.2
[M+K]+ 175.038048 131.4
[M+H-H2O]+ 119.072150 118.3
[M+HCOO]- 181.073091 145.6
[M+CH3COO]- 195.088741 138.5
[M+Na-2H]- 157.049556 133.3
[M]+ 136.07434142 121.2
[M]- 136.07543858 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