CID 97969

83898-14-0

Structural Information

Molecular Formula
C13H17NO
SMILES
CCOC(CCC#N)C1=CC=C(C=C1)C
InChI
InChI=1S/C13H17NO/c1-3-15-13(5-4-10-14)12-8-6-11(2)7-9-12/h6-9,13H,3-5H2,1-2H3
InChIKey
XNTCRZPEWZRCPA-UHFFFAOYSA-N
Compound name
4-ethoxy-4-(4-methylphenyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.1
[M+Na]+ 226.12023 159.0
[M+NH4]+ 221.16483 152.1
[M+K]+ 242.09417 148.9
[M-H]- 202.12373 142.1
[M+Na-2H]- 224.10568 151.0
[M]+ 203.13046 146.6
[M]- 203.13156 146.6
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

No patent data available for this compound.