CID 2864711

57310-24-4

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C#N
InChI
InChI=1S/C13H10N2O3/c1-7-10(6-14)12(17)11(16)8-4-2-3-5-9(8)13(12,18)15-7/h2-5,15,17-18H,1H3
InChIKey
JOZUSGLYPYFKLY-UHFFFAOYSA-N
Compound name
3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

242.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 157.6
[M+Na]+ 265.058358 172.3
[M-H]- 241.061864 159.0
[M+NH4]+ 260.102963 179.6
[M+K]+ 281.032298 162.7
[M+H-H2O]+ 225.066400 147.4
[M+HCOO]- 287.067341 172.6
[M+CH3COO]- 301.082991 168.9
[M+Na-2H]- 263.043806 161.7
[M]+ 242.06859142 152.8
[M]- 242.06968858 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.