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]+ 144.08078 137.3
[M+Na]+ 166.06272 147.8
[M-H]- 142.06622 140.0
[M+NH4]+ 161.10732 158.4
[M+K]+ 182.03666 137.4
[M+H-H2O]+ 126.07076 130.2
[M+HCOO]- 188.07170 156.3
[M+CH3COO]- 202.08735 179.0
[M+Na-2H]- 164.04817 143.9
[M]+ 143.07295 127.9
[M]- 143.07405 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