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

63
Patents

135.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 127.0
[M+Na]+ 158.068868 136.3
[M-H]- 134.072374 126.2
[M+NH4]+ 153.113473 147.1
[M+K]+ 174.042808 133.3
[M+H-H2O]+ 118.076910 119.7
[M+HCOO]- 180.077851 146.0
[M+CH3COO]- 194.093501 140.0
[M+Na-2H]- 156.054316 134.4
[M]+ 135.07910142 124.4
[M]- 135.08019858 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