CID 71362235

2-(2-oxo-2,3-dihydro-1h-indol-3-ylidene)acetonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC=C2C(=C1)C(=CC#N)C(=O)N2
InChI
InChI=1S/C10H6N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)
InChIKey
YLSUPMWMHFXGHW-UHFFFAOYSA-N
Compound name
2-(2-oxo-1H-indol-3-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.055296 138.1
[M+Na]+ 193.037238 149.7
[M-H]- 169.040744 139.6
[M+NH4]+ 188.081843 157.3
[M+K]+ 209.011178 143.3
[M+H-H2O]+ 153.045280 125.6
[M+HCOO]- 215.046221 155.8
[M+CH3COO]- 229.061871 149.9
[M+Na-2H]- 191.022686 142.9
[M]+ 170.04747142 130.9
[M]- 170.04856858 130.9
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