CID 16217475

2-isocyanonaphthalene

Structural Information

Molecular Formula
C11H7N
SMILES
[C-]#[N+]C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H7N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H
InChIKey
ZZKQDMRCHFQQCQ-UHFFFAOYSA-N
Compound name
2-isocyanonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

172
Patents

153.05785 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06513 134.1
[M+Na]+ 176.04707 150.2
[M+NH4]+ 171.09167 141.7
[M+K]+ 192.02101 140.1
[M-H]- 152.05057 132.0
[M+Na-2H]- 174.03252 140.4
[M]+ 153.05730 135.2
[M]- 153.05840 135.2
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