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]+ 168.08078 142.5
[M+Na]+ 190.06272 153.0
[M-H]- 166.06622 145.1
[M+NH4]+ 185.10732 161.1
[M+K]+ 206.03666 142.0
[M+H-H2O]+ 150.07076 134.9
[M+HCOO]- 212.07170 161.4
[M+CH3COO]- 226.08735 184.2
[M+Na-2H]- 188.04817 151.0
[M]+ 167.07295 134.3
[M]- 167.07405 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