CID 312896

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

157.05276 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 134.0
[M+Na]+ 180.04198 146.2
[M-H]- 156.04548 138.4
[M+NH4]+ 175.08658 155.8
[M+K]+ 196.01592 140.7
[M+H-H2O]+ 140.05002 122.5
[M+HCOO]- 202.05096 154.3
[M+CH3COO]- 216.06661 189.4
[M+Na-2H]- 178.02743 139.6
[M]+ 157.05221 128.9
[M]- 157.05331 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

literature stripe

Patent stripe

patents stripe