CID 58712159

2-(isocyanomethyl)naphthalene

Structural Information

Molecular Formula
C12H9N
SMILES
[C-]#[N+]CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H9N/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2
InChIKey
BDVQAKMFGIDYNF-UHFFFAOYSA-N
Compound name
2-(isocyanomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.0735 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.080776 142.5
[M+Na]+ 190.062718 153.0
[M-H]- 166.066224 145.1
[M+NH4]+ 185.107323 161.1
[M+K]+ 206.036658 142.0
[M+H-H2O]+ 150.070760 134.9
[M+HCOO]- 212.071701 161.4
[M+CH3COO]- 226.087351 184.2
[M+Na-2H]- 188.048166 151.0
[M]+ 167.07295142 134.3
[M]- 167.07404858 134.3
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