CID 22034199

5-isocyano-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H9N
SMILES
[C-]#[N+]C1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C10H9N/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2
InChIKey
OFNRCKGXVSGOLS-UHFFFAOYSA-N
Compound name
5-isocyano-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

143.0735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 137.3
[M+Na]+ 166.062718 147.8
[M-H]- 142.066224 140.0
[M+NH4]+ 161.107323 158.4
[M+K]+ 182.036658 137.4
[M+H-H2O]+ 126.070760 130.2
[M+HCOO]- 188.071701 156.3
[M+CH3COO]- 202.087351 179.0
[M+Na-2H]- 164.048166 143.9
[M]+ 143.07295142 127.9
[M]- 143.07404858 127.9
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