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

186
Patents

109.063995 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.071271 120.5
[M+Na]+ 132.053213 129.1
[M-H]- 108.056719 118.4
[M+NH4]+ 127.097818 142.3
[M+K]+ 148.027153 126.5
[M+H-H2O]+ 92.061255 113.6
[M+HCOO]- 154.062196 139.4
[M+CH3COO]- 168.077846 133.4
[M+Na-2H]- 130.038661 126.4
[M]+ 109.06344642 115.8
[M]- 109.06454358 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