CID 170633

(r)-(-)-1-(1-naphthyl)ethyl isocyanate

Structural Information

Molecular Formula
C13H11NO
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N=C=O
InChI
InChI=1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
InChIKey
GONOHGQPZFXJOJ-SNVBAGLBSA-N
Compound name
1-[(1R)-1-isocyanatoethyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1019
Patents

197.08406 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 142.1
[M+Na]+ 220.07328 156.3
[M+NH4]+ 215.11788 151.7
[M+K]+ 236.04722 148.1
[M-H]- 196.07678 146.3
[M+Na-2H]- 218.05873 150.5
[M]+ 197.08351 145.3
[M]- 197.08461 145.3
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