CID 23294017

2044712-98-1

Structural Information

Molecular Formula
C6H7N3
SMILES
C1CNC2=NC=NC=C21
InChI
InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKey
PANGDCFLXUDHDI-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

121.063995 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 122.0
[M+Na]+ 144.05321 130.8
[M-H]- 120.05672 121.0
[M+NH4]+ 139.09782 142.3
[M+K]+ 160.02715 128.1
[M+H-H2O]+ 104.06126 114.6
[M+HCOO]- 166.06220 141.4
[M+CH3COO]- 180.07785 135.2
[M+Na-2H]- 142.03866 130.8
[M]+ 121.06345 118.7
[M]- 121.06454 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe