CID 150946

3-methyleneoxindole

Structural Information

Molecular Formula
C9H7NO
SMILES
C=C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-5H,1H2,(H,10,11)
InChIKey
IGXUUWYVUGBMFT-UHFFFAOYSA-N
Compound name
3-methylidene-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

282
Patents

145.05276 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 127.2
[M+Na]+ 168.04198 137.1
[M-H]- 144.04548 129.5
[M+NH4]+ 163.08658 149.8
[M+K]+ 184.01592 133.0
[M+H-H2O]+ 128.05002 121.9
[M+HCOO]- 190.05096 148.9
[M+CH3COO]- 204.06661 171.5
[M+Na-2H]- 166.02743 133.3
[M]+ 145.05221 124.7
[M]- 145.05331 124.7
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

patents stripe