CID 11030074

2,3-dihydro-3-oxo-1h-indene-5-carbonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1CC(=O)C2=C1C=CC(=C2)C#N
InChI
InChI=1S/C10H7NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5H,3-4H2
InChIKey
UJBIKXKXAWDYIB-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

157.05276 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.060036 134.0
[M+Na]+ 180.041978 146.2
[M-H]- 156.045484 138.4
[M+NH4]+ 175.086583 155.8
[M+K]+ 196.015918 140.7
[M+H-H2O]+ 140.050020 122.5
[M+HCOO]- 202.050961 154.3
[M+CH3COO]- 216.066611 189.4
[M+Na-2H]- 178.027426 139.6
[M]+ 157.05221142 128.9
[M]- 157.05330858 128.9
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

patents stripe