CID 10889102

2445785-91-9

Structural Information

Molecular Formula
C7H9N3
SMILES
CC1=NC=C2CNCC2=N1
InChI
InChI=1S/C7H9N3/c1-5-9-3-6-2-8-4-7(6)10-5/h3,8H,2,4H2,1H3
InChIKey
RAAFDHOWTMRUEA-UHFFFAOYSA-N
Compound name
2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

135.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 127.0
[M+Na]+ 158.06887 136.3
[M-H]- 134.07237 126.2
[M+NH4]+ 153.11347 147.1
[M+K]+ 174.04281 133.3
[M+H-H2O]+ 118.07691 119.7
[M+HCOO]- 180.07785 146.0
[M+CH3COO]- 194.09350 140.0
[M+Na-2H]- 156.05432 134.4
[M]+ 135.07910 124.4
[M]- 135.08020 124.4
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

patents stripe