CID 71008

1-(4-methoxyphenyl)cyclopentanecarbonitrile

Structural Information

Molecular Formula
C13H15NO
SMILES
COC1=CC=C(C=C1)C2(CCCC2)C#N
InChI
InChI=1S/C13H15NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey
DOZAMVFROCVJLO-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

201.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 147.2
[M+Na]+ 224.10459 157.3
[M-H]- 200.10809 153.0
[M+NH4]+ 219.14919 167.8
[M+K]+ 240.07853 151.6
[M+H-H2O]+ 184.11263 134.8
[M+HCOO]- 246.11357 166.7
[M+CH3COO]- 260.12922 195.5
[M+Na-2H]- 222.09004 151.5
[M]+ 201.11482 141.2
[M]- 201.11592 141.2
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