CID 116348788

1593726-47-6

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC1(CO)N2C(=O)C=CC2=O
InChI
InChI=1S/C8H9NO3/c10-5-8(3-4-8)9-6(11)1-2-7(9)12/h1-2,10H,3-5H2
InChIKey
YHKJTDWYCBKDHM-UHFFFAOYSA-N
Compound name
1-[1-(hydroxymethyl)cyclopropyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 135.0
[M+Na]+ 190.04746 146.2
[M-H]- 166.05096 140.6
[M+NH4]+ 185.09206 152.4
[M+K]+ 206.02140 143.2
[M+H-H2O]+ 150.05550 130.1
[M+HCOO]- 212.05644 157.1
[M+CH3COO]- 226.07209 177.1
[M+Na-2H]- 188.03291 140.0
[M]+ 167.05769 137.7
[M]- 167.05879 137.7
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