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]+ 243.07642 157.6
[M+Na]+ 265.05836 172.3
[M-H]- 241.06186 159.0
[M+NH4]+ 260.10296 179.6
[M+K]+ 281.03230 162.7
[M+H-H2O]+ 225.06640 147.4
[M+HCOO]- 287.06734 172.6
[M+CH3COO]- 301.08299 168.9
[M+Na-2H]- 263.04381 161.7
[M]+ 242.06859 152.8
[M]- 242.06969 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.