CID 45120616

1956307-29-1

Structural Information

Molecular Formula
C5H7N3
SMILES
C1C2=C(CN1)N=CN2
InChI
InChI=1S/C5H7N3/c1-4-5(2-6-1)8-3-7-4/h3,6H,1-2H2,(H,7,8)
InChIKey
DHSAAWDYDOKDGX-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

109.063995 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 120.5
[M+Na]+ 132.05321 129.1
[M-H]- 108.05672 118.4
[M+NH4]+ 127.09782 142.3
[M+K]+ 148.02715 126.5
[M+H-H2O]+ 92.061255 113.6
[M+HCOO]- 154.06220 139.4
[M+CH3COO]- 168.07785 133.4
[M+Na-2H]- 130.03866 126.4
[M]+ 109.06345 115.8
[M]- 109.06454 115.8
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