CID 63925565

1h,4h,5h,6h-cyclopenta[d]imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=C(C1)N=C(N2)C=O
InChI
InChI=1S/C7H8N2O/c10-4-7-8-5-2-1-3-6(5)9-7/h4H,1-3H2,(H,8,9)
InChIKey
LMLXQOYUVXQVLQ-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydrocyclopenta[d]imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.8
[M+Na]+ 159.05288 136.1
[M-H]- 135.05638 127.7
[M+NH4]+ 154.09748 149.9
[M+K]+ 175.02682 133.7
[M+H-H2O]+ 119.06092 120.7
[M+HCOO]- 181.06186 148.3
[M+CH3COO]- 195.07751 140.7
[M+Na-2H]- 157.03833 131.8
[M]+ 136.06311 125.2
[M]- 136.06421 125.2
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

No patent data available for this compound.