CID 6846

1-naphthonitrile

Structural Information

Molecular Formula
C11H7N
SMILES
C1=CC=C2C(=C1)C=CC=C2C#N
InChI
InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
InChIKey
YJMNOKOLADGBKA-UHFFFAOYSA-N
Compound name
naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

3264
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 133.6
[M+Na]+ 176.04707 145.3
[M-H]- 152.05057 137.8
[M+NH4]+ 171.09167 153.7
[M+K]+ 192.02101 139.4
[M+H-H2O]+ 136.05511 121.7
[M+HCOO]- 198.05605 153.9
[M+CH3COO]- 212.07170 146.5
[M+Na-2H]- 174.03252 142.4
[M]+ 153.05730 128.4
[M]- 153.05840 128.4
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