CID 55299186

1h,4h,5h,7h-pyrano[3,4-b]pyrrol-7-one

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1COC(=O)C2=C1C=CN2
InChI
InChI=1S/C7H7NO2/c9-7-6-5(1-3-8-6)2-4-10-7/h1,3,8H,2,4H2
InChIKey
GGCHOXAZSLTWIP-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

137.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.0
[M+Na]+ 160.03690 136.6
[M+NH4]+ 155.08150 133.8
[M+K]+ 176.01084 133.1
[M-H]- 136.04040 127.1
[M+Na-2H]- 158.02235 129.3
[M]+ 137.04713 127.0
[M]- 137.04823 127.0
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