CID 76009

2,6-dimethylphenyl isocyanide

Structural Information

Molecular Formula
C9H9N
SMILES
CC1=C(C(=CC=C1)C)[N+]#[C-]
InChI
InChI=1S/C9H9N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H3
InChIKey
DNJLFZHMJDSJFN-UHFFFAOYSA-N
Compound name
2-isocyano-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

747
Patents

131.0735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 131.1
[M+Na]+ 154.06272 142.0
[M-H]- 130.06622 133.8
[M+NH4]+ 149.10732 150.7
[M+K]+ 170.03666 134.1
[M+H-H2O]+ 114.07076 124.5
[M+HCOO]- 176.07170 151.2
[M+CH3COO]- 190.08735 179.3
[M+Na-2H]- 152.04817 138.1
[M]+ 131.07295 123.5
[M]- 131.07405 123.5
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