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 150.4
[M+Na]+ 246.08894 167.6
[M-H]- 222.09244 158.6
[M+NH4]+ 241.13354 166.6
[M+K]+ 262.06288 157.7
[M+H-H2O]+ 206.09698 141.2
[M+HCOO]- 268.09792 170.2
[M+CH3COO]- 282.11357 163.5
[M+Na-2H]- 244.07439 159.0
[M]+ 223.09917 149.6
[M]- 223.10027 149.6
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