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]+ 137.070936 126.8
[M+Na]+ 159.052878 136.1
[M-H]- 135.056384 127.7
[M+NH4]+ 154.097483 149.9
[M+K]+ 175.026818 133.7
[M+H-H2O]+ 119.060920 120.7
[M+HCOO]- 181.061861 148.3
[M+CH3COO]- 195.077511 140.7
[M+Na-2H]- 157.038326 131.8
[M]+ 136.06311142 125.2
[M]- 136.06420858 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.