CID 39619

Brn 1021214

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC1OC2=C(O1)C=C3C(=C2)C(=CN3C(=O)C)CC(=O)O
InChI
InChI=1S/C14H13NO5/c1-7(16)15-6-9(3-14(17)18)10-4-12-13(5-11(10)15)20-8(2)19-12/h4-6,8H,3H2,1-2H3,(H,17,18)
InChIKey
JSYRJBIDYCPYHZ-UHFFFAOYSA-N
Compound name
2-(5-acetyl-2-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 158.5
[M+Na]+ 298.06860 169.8
[M+NH4]+ 293.11320 164.8
[M+K]+ 314.04254 170.4
[M-H]- 274.07210 160.4
[M+Na-2H]- 296.05405 158.9
[M]+ 275.07883 160.4
[M]- 275.07993 160.4
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

No patent data available for this compound.