CID 28491043

4-[(4-methoxyphenyl)methoxy]butanenitrile

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC1=CC=C(C=C1)COCCCC#N
InChI
InChI=1S/C12H15NO2/c1-14-12-6-4-11(5-7-12)10-15-9-3-2-8-13/h4-7H,2-3,9-10H2,1H3
InChIKey
WROFRRSYFNNNDX-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methoxy]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.7
[M+Na]+ 228.09950 152.9
[M-H]- 204.10300 146.7
[M+NH4]+ 223.14410 161.0
[M+K]+ 244.07344 150.2
[M+H-H2O]+ 188.10754 131.0
[M+HCOO]- 250.10848 164.2
[M+CH3COO]- 264.12413 198.5
[M+Na-2H]- 226.08495 149.4
[M]+ 205.10973 142.5
[M]- 205.11083 142.5
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.