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

55
Patents

201.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 147.2
[M+Na]+ 224.104588 157.3
[M-H]- 200.108094 153.0
[M+NH4]+ 219.149193 167.8
[M+K]+ 240.078528 151.6
[M+H-H2O]+ 184.112630 134.8
[M+HCOO]- 246.113571 166.7
[M+CH3COO]- 260.129221 195.5
[M+Na-2H]- 222.090036 151.5
[M]+ 201.11482142 141.2
[M]- 201.11591858 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