CID 16122

1-isocyanonaphthalene

Structural Information

Molecular Formula
C11H7N
SMILES
[C-]#[N+]C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C11H7N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H
InChIKey
PTCSLGONLAYNQB-UHFFFAOYSA-N
Compound name
1-isocyanonaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

210
Patents

153.05785 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06513 138.3
[M+Na]+ 176.04707 149.2
[M-H]- 152.05057 141.0
[M+NH4]+ 171.09167 157.4
[M+K]+ 192.02101 138.4
[M+H-H2O]+ 136.05511 130.9
[M+HCOO]- 198.05605 157.5
[M+CH3COO]- 212.07170 181.4
[M+Na-2H]- 174.03252 147.3
[M]+ 153.05730 129.8
[M]- 153.05840 129.8
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