CID 13161752

Brn 4425805

Structural Information

Molecular Formula
C14H15NO
SMILES
C1CC(C=C1)C2=CC=C(C=C2)OCCC#N
InChI
InChI=1S/C14H15NO/c15-10-3-11-16-14-8-6-13(7-9-14)12-4-1-2-5-12/h1,4,6-9,12H,2-3,5,11H2
InChIKey
KHZZVOAPJOYGPZ-UHFFFAOYSA-N
Compound name
3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 150.3
[M+Na]+ 236.10459 159.6
[M-H]- 212.10809 155.5
[M+NH4]+ 231.14919 168.4
[M+K]+ 252.07853 154.1
[M+H-H2O]+ 196.11263 136.8
[M+HCOO]- 258.11357 170.5
[M+CH3COO]- 272.12922 198.3
[M+Na-2H]- 234.09004 153.7
[M]+ 213.11482 145.4
[M]- 213.11592 145.4
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

No patent data available for this compound.