CID 59683689

923982-67-6

Structural Information

Molecular Formula
C15H13NO
SMILES
C1[C@@H]([C@@]1(C#N)C2=CC3=CC=CC=C3C=C2)CO
InChI
InChI=1S/C15H13NO/c16-10-15(8-14(15)9-17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14,17H,8-9H2/t14-,15+/m1/s1
InChIKey
YAOFZMVNNNMQQK-CABCVRRESA-N
Compound name
(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

223.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 153.3
[M+Na]+ 246.08894 168.2
[M+NH4]+ 241.13354 161.2
[M+K]+ 262.06288 157.1
[M-H]- 222.09244 156.8
[M+Na-2H]- 244.07439 161.9
[M]+ 223.09917 157.0
[M]- 223.10027 157.0
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