CID 3064820

Brn 5521085

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/h4,6-9H,1-3,5,11H2
InChIKey
BBSBAIRUGDLYSN-UHFFFAOYSA-N
Compound name
3-[4-(cyclopenten-1-yl)phenoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 151.0
[M+Na]+ 236.10459 163.0
[M+NH4]+ 231.14919 156.6
[M+K]+ 252.07853 153.6
[M-H]- 212.10809 147.5
[M+Na-2H]- 234.09004 156.0
[M]+ 213.11482 150.9
[M]- 213.11592 150.9
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.