CID 15313503

5h,6h,7h-pyrrolo[1,2-a]imidazole-3-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=NC=C(N2C1)C=O
InChI
InChI=1S/C7H8N2O/c10-5-6-4-8-7-2-1-3-9(6)7/h4-5H,1-3H2
InChIKey
YLRKWLSCHSHVRE-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.2
[M+Na]+ 159.05288 135.8
[M-H]- 135.05638 128.3
[M+NH4]+ 154.09748 149.9
[M+K]+ 175.02682 134.4
[M+H-H2O]+ 119.06092 119.8
[M+HCOO]- 181.06186 149.2
[M+CH3COO]- 195.07751 171.2
[M+Na-2H]- 157.03833 131.5
[M]+ 136.06311 126.4
[M]- 136.06421 126.4
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